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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:29:56 UTC

HMDB ID

HMDB0000851

Secondary Accession Numbers

HMDB00851

Metabolite Identification

Common Name

Pyridinoline

Description

Pyridinoline belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. Based on a literature review a significant number of articles have been published on Pyridinoline.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv0541 02231218462D          

 30 30  0  0  1  0            999 V2000
   26.8121  -19.8423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9226  -17.7797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7957  -14.3987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0962  -17.3672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5581  -15.1133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8107  -18.6047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5266  -23.5548    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   28.2411  -22.3173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3831  -19.0172    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   26.6207  -15.8277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.0976  -22.7298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.5252  -16.5422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.0976  -20.2548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.3831  -19.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6687  -17.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3831  -17.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0976  -21.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9541  -17.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6687  -18.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3831  -16.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8121  -21.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2397  -17.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0976  -17.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0976  -18.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7957  -15.8277    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.8121  -22.3173    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.5252  -17.3672    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.3831  -15.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8107  -17.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5266  -22.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 13  1  1  6  0  0  0
  2 23  1  0  0  0  0
  3 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 28  2  0  0  0  0
  6 29  2  0  0  0  0
  7 30  1  0  0  0  0
  8 30  2  0  0  0  0
  9 14  1  0  0  0  0
  9 19  1  0  0  0  0
  9 24  2  0  0  0  0
 25 10  1  1  0  0  0
 26 11  1  1  0  0  0
 27 12  1  1  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 23  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 25 28  1  0  0  0  0
 26 30  1  0  0  0  0
 27 29  1  0  0  0  0
M  CHG  2   7  -1   9   1
M  END

HMDB0000851
     RDKit          3D
Pyridinoline
 58 58  0  0  0  0  0  0  0  0999 V2000
    6.4132   -0.7949    0.9266 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8786    0.5541    0.6617 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4372    0.7610   -0.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4258   -0.1585   -1.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0845   -0.2113   -0.6494 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3802    0.9906   -0.6955 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2194   -1.1670   -1.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9148   -1.1793   -0.8826 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.7109   -2.1091    0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5066   -2.2050    0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6977   -3.1696    1.7168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4879   -1.2909    0.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8072   -1.4093    1.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6303   -2.5773    0.4720 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8743   -2.3982   -0.9517 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9236   -2.6120    1.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9859   -2.7510    2.4469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1066   -2.4850    0.4988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3111   -0.3232   -0.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3198    0.6967   -0.9514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2771    1.8052    0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2811    2.8922   -0.2275 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0244    3.4798   -1.5400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0993    3.9512    0.8155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2814    3.6229    2.0132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7453    5.2451    0.4966 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0543   -0.3089   -1.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1561    1.0744    1.7917 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7764    1.1674    2.9265 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8574    1.4945    1.7986 O   0  0  0  0  0  1  0  0  0  0  0  0
    5.6455   -1.4958    0.9755 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8665   -0.7204    1.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9149    1.1452    0.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9855    1.8173   -0.7747 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3012    0.7656   -1.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8459   -1.2220   -1.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3441   -0.0152   -2.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0745   -0.5817    0.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6886    0.9462    0.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -2.1694   -1.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1743   -0.7985   -2.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4742   -2.8392    0.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5429   -3.2665    2.2482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7311   -1.5576    2.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4509   -0.5283    0.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1596   -3.5463    0.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9300   -2.2376   -1.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1828   -3.3315   -1.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5676   -3.2750    0.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3309    0.3047   -1.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9956    1.1483   -1.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3228    1.4924    1.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2608    2.2927   -0.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2943    2.4740   -0.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1722    4.0814   -1.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8542    4.0783   -1.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1667    6.0088    1.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1148    0.4456   -1.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
 12 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 24 26  1  0
 19 27  2  0
  2 28  1  0
 28 29  2  0
 28 30  1  0
 27  8  1  0
  1 31  1  0
  1 32  1  0
  2 33  1  6
  3 34  1  0
  3 35  1  0
  4 36  1  0
  4 37  1  0
  5 38  1  1
  6 39  1  0
  7 40  1  0
  7 41  1  0
  9 42  1  0
 11 43  1  0
 13 44  1  0
 13 45  1  0
 14 46  1  6
 15 47  1  0
 15 48  1  0
 18 49  1  0
 20 50  1  0
 20 51  1  0
 21 52  1  0
 21 53  1  0
 22 54  1  6
 23 55  1  0
 23 56  1  0
 26 57  1  0
 27 58  1  0
M  CHG  2   8   1  30  -1
M  END


  Mrv0541 02231218462D          

 30 30  0  0  1  0            999 V2000
   26.8121  -19.8423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9226  -17.7797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7957  -14.3987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0962  -17.3672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5581  -15.1133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8107  -18.6047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5266  -23.5548    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   28.2411  -22.3173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3831  -19.0172    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   26.6207  -15.8277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.0976  -22.7298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.5252  -16.5422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.0976  -20.2548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.3831  -19.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6687  -17.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3831  -17.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0976  -21.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9541  -17.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6687  -18.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3831  -16.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8121  -21.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2397  -17.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0976  -17.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0976  -18.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7957  -15.8277    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.8121  -22.3173    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.5252  -17.3672    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.3831  -15.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8107  -17.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5266  -22.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 13  1  1  6  0  0  0
  2 23  1  0  0  0  0
  3 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 28  2  0  0  0  0
  6 29  2  0  0  0  0
  7 30  1  0  0  0  0
  8 30  2  0  0  0  0
  9 14  1  0  0  0  0
  9 19  1  0  0  0  0
  9 24  2  0  0  0  0
 25 10  1  1  0  0  0
 26 11  1  1  0  0  0
 27 12  1  1  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 23  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 25 28  1  0  0  0  0
 26 30  1  0  0  0  0
 27 29  1  0  0  0  0
M  CHG  2   7  -1   9   1
M  END
> <DATABASE_ID>
HMDB0000851

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C([O-])=O)=CC(O)=C1C[C@H](N)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H28N4O8/c19-12(16(25)26)3-1-9-6-22(7-10(23)2-4-13(20)17(27)28)8-15(24)11(9)5-14(21)18(29)30/h6,8,10,12-14,23H,1-5,7,19-21H2,(H3-,24,25,26,27,28,29,30)/t10-,12+,13+,14+/m1/s1

> <INCHI_KEY>
LCYXYLLJXMAEMT-SAXRGWBVSA-N

> <FORMULA>
C18H28N4O8

> <MOLECULAR_WEIGHT>
428.4369

> <EXACT_MASS>
428.190713892

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
43.11688769808471

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-1-[(2R,5S)-5-amino-5-carboxylato-2-hydroxypentyl]-5-hydroxypyridin-1-ium

> <ALOGPS_LOGP>
-3.94

> <JCHEM_LOGP>
-12.788846642216434

> <ALOGPS_LOGS>
-3.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
1.2430672914447198

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.7335180920687812

> <JCHEM_PKA_STRONGEST_BASIC>
9.801660195709378

> <JCHEM_POLAR_SURFACE_AREA>
237.13000000000002

> <JCHEM_REFRACTIVITY>
114.84429999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.49e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-1-[(2R,5S)-5-amino-5-carboxylato-2-hydroxypentyl]-5-hydroxypyridin-1-ium

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000851
     RDKit          3D
Pyridinoline
 58 58  0  0  0  0  0  0  0  0999 V2000
    6.4132   -0.7949    0.9266 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8786    0.5541    0.6617 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4372    0.7610   -0.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4258   -0.1585   -1.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0845   -0.2113   -0.6494 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3802    0.9906   -0.6955 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2194   -1.1670   -1.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9148   -1.1793   -0.8826 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.7109   -2.1091    0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5066   -2.2050    0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6977   -3.1696    1.7168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4879   -1.2909    0.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8072   -1.4093    1.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6303   -2.5773    0.4720 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8743   -2.3982   -0.9517 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9236   -2.6120    1.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9859   -2.7510    2.4469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1066   -2.4850    0.4988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3111   -0.3232   -0.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3198    0.6967   -0.9514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2771    1.8052    0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2811    2.8922   -0.2275 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0244    3.4798   -1.5400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0993    3.9512    0.8155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2814    3.6229    2.0132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7453    5.2451    0.4966 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0543   -0.3089   -1.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1561    1.0744    1.7917 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7764    1.1674    2.9265 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8574    1.4945    1.7986 O   0  0  0  0  0  1  0  0  0  0  0  0
    5.6455   -1.4958    0.9755 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8665   -0.7204    1.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9149    1.1452    0.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9855    1.8173   -0.7747 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3012    0.7656   -1.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8459   -1.2220   -1.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3441   -0.0152   -2.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0745   -0.5817    0.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6886    0.9462    0.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -2.1694   -1.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1743   -0.7985   -2.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4742   -2.8392    0.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5429   -3.2665    2.2482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7311   -1.5576    2.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4509   -0.5283    0.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1596   -3.5463    0.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9300   -2.2376   -1.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1828   -3.3315   -1.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5676   -3.2750    0.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3309    0.3047   -1.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9956    1.1483   -1.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3228    1.4924    1.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2608    2.2927   -0.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2943    2.4740   -0.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1722    4.0814   -1.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8542    4.0783   -1.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1667    6.0088    1.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1148    0.4456   -1.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
 12 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 24 26  1  0
 19 27  2  0
  2 28  1  0
 28 29  2  0
 28 30  1  0
 27  8  1  0
  1 31  1  0
  1 32  1  0
  2 33  1  6
  3 34  1  0
  3 35  1  0
  4 36  1  0
  4 37  1  0
  5 38  1  1
  6 39  1  0
  7 40  1  0
  7 41  1  0
  9 42  1  0
 11 43  1  0
 13 44  1  0
 13 45  1  0
 14 46  1  6
 15 47  1  0
 15 48  1  0
 18 49  1  0
 20 50  1  0
 20 51  1  0
 21 52  1  0
 21 53  1  0
 22 54  1  6
 23 55  1  0
 23 56  1  0
 26 57  1  0
 27 58  1  0
M  CHG  2   8   1  30  -1
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0      50.049 -37.039   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      50.256 -33.189   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      48.152 -26.878   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      39.380 -32.419   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      45.842 -28.211   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      40.713 -34.729   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      51.383 -43.969   0.000  0.00  0.00           O-1
HETATM    8  O   UNK     0      52.717 -41.659   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0      47.382 -35.499   0.000  0.00  0.00           N+1
HETATM   10  N   UNK     0      49.692 -29.545   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0      48.716 -42.429   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      42.047 -30.879   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      48.716 -37.809   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      47.382 -37.039   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      46.048 -33.189   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      47.382 -32.419   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      48.716 -39.349   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      44.714 -32.419   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      46.048 -34.729   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      47.382 -30.879   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      50.049 -40.119   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      43.381 -33.189   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      48.716 -33.189   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      48.716 -34.729   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      48.152 -29.545   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      50.049 -41.659   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      42.047 -32.419   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      47.382 -28.211   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      40.713 -33.189   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      51.383 -42.429   0.000  0.00  0.00           C+0
CONECT    1   13                                                            
CONECT    2   23                                                            
CONECT    3   28                                                            
CONECT    4   29                                                            
CONECT    5   28                                                            
CONECT    6   29                                                            
CONECT    7   30                                                            
CONECT    8   30                                                            
CONECT    9   14   19   24                                                  
CONECT   10   25                                                            
CONECT   11   26                                                            
CONECT   12   27                                                            
CONECT   13    1   14   17                                                  
CONECT   14    9   13                                                       
CONECT   15   16   18   19                                                  
CONECT   16   15   20   23                                                  
CONECT   17   13   21                                                       
CONECT   18   15   22                                                       
CONECT   19    9   15                                                       
CONECT   20   16   25                                                       
CONECT   21   17   26                                                       
CONECT   22   18   27                                                       
CONECT   23    2   16   24                                                  
CONECT   24    9   23                                                       
CONECT   25   10   20   28                                                  
CONECT   26   11   21   30                                                  
CONECT   27   12   22   29                                                  
CONECT   28    3    5   25                                                  
CONECT   29    4    6   27                                                  
CONECT   30    7    8   26                                                  
MASTER        0    0    0    0    0    0    0    0   30    0   60    0
END

COMPND    HMDB0000851
HETATM    1  N1  UNL     1       6.413  -0.795   0.927  1.00  0.00           N  
HETATM    2  C1  UNL     1       5.879   0.554   0.662  1.00  0.00           C  
HETATM    3  C2  UNL     1       5.437   0.761  -0.715  1.00  0.00           C  
HETATM    4  C3  UNL     1       4.426  -0.158  -1.258  1.00  0.00           C  
HETATM    5  C4  UNL     1       3.085  -0.211  -0.649  1.00  0.00           C  
HETATM    6  O1  UNL     1       2.380   0.991  -0.695  1.00  0.00           O  
HETATM    7  C5  UNL     1       2.219  -1.167  -1.527  1.00  0.00           C  
HETATM    8  N2  UNL     1       0.915  -1.179  -0.883  1.00  0.00           N1+
HETATM    9  C6  UNL     1       0.711  -2.109   0.063  1.00  0.00           C  
HETATM   10  C7  UNL     1      -0.507  -2.205   0.739  1.00  0.00           C  
HETATM   11  O2  UNL     1      -0.698  -3.170   1.717  1.00  0.00           O  
HETATM   12  C8  UNL     1      -1.488  -1.291   0.380  1.00  0.00           C  
HETATM   13  C9  UNL     1      -2.807  -1.409   1.046  1.00  0.00           C  
HETATM   14  C10 UNL     1      -3.630  -2.577   0.472  1.00  0.00           C  
HETATM   15  N3  UNL     1      -3.874  -2.398  -0.952  1.00  0.00           N  
HETATM   16  C11 UNL     1      -4.924  -2.612   1.210  1.00  0.00           C  
HETATM   17  O3  UNL     1      -4.986  -2.751   2.447  1.00  0.00           O  
HETATM   18  O4  UNL     1      -6.107  -2.485   0.499  1.00  0.00           O  
HETATM   19  C12 UNL     1      -1.311  -0.323  -0.583  1.00  0.00           C  
HETATM   20  C13 UNL     1      -2.320   0.697  -0.951  1.00  0.00           C  
HETATM   21  C14 UNL     1      -2.277   1.805   0.055  1.00  0.00           C  
HETATM   22  C15 UNL     1      -3.281   2.892  -0.228  1.00  0.00           C  
HETATM   23  N4  UNL     1      -3.024   3.480  -1.540  1.00  0.00           N  
HETATM   24  C16 UNL     1      -3.099   3.951   0.816  1.00  0.00           C  
HETATM   25  O5  UNL     1      -3.281   3.623   2.013  1.00  0.00           O  
HETATM   26  O6  UNL     1      -2.745   5.245   0.497  1.00  0.00           O  
HETATM   27  C17 UNL     1      -0.054  -0.309  -1.205  1.00  0.00           C  
HETATM   28  C18 UNL     1       5.156   1.074   1.792  1.00  0.00           C  
HETATM   29  O7  UNL     1       5.776   1.167   2.927  1.00  0.00           O  
HETATM   30  O8  UNL     1       3.857   1.495   1.799  1.00  0.00           O1-
HETATM   31  H1  UNL     1       5.646  -1.496   0.975  1.00  0.00           H  
HETATM   32  H2  UNL     1       6.866  -0.720   1.872  1.00  0.00           H  
HETATM   33  H3  UNL     1       6.915   1.145   0.692  1.00  0.00           H  
HETATM   34  H4  UNL     1       4.985   1.817  -0.775  1.00  0.00           H  
HETATM   35  H5  UNL     1       6.301   0.766  -1.450  1.00  0.00           H  
HETATM   36  H6  UNL     1       4.846  -1.222  -1.204  1.00  0.00           H  
HETATM   37  H7  UNL     1       4.344  -0.015  -2.394  1.00  0.00           H  
HETATM   38  H8  UNL     1       3.075  -0.582   0.382  1.00  0.00           H  
HETATM   39  H9  UNL     1       1.689   0.946   0.009  1.00  0.00           H  
HETATM   40  H10 UNL     1       2.692  -2.169  -1.533  1.00  0.00           H  
HETATM   41  H11 UNL     1       2.174  -0.798  -2.552  1.00  0.00           H  
HETATM   42  H12 UNL     1       1.474  -2.839   0.358  1.00  0.00           H  
HETATM   43  H13 UNL     1      -1.543  -3.267   2.248  1.00  0.00           H  
HETATM   44  H14 UNL     1      -2.731  -1.558   2.141  1.00  0.00           H  
HETATM   45  H15 UNL     1      -3.451  -0.528   0.837  1.00  0.00           H  
HETATM   46  H16 UNL     1      -3.160  -3.546   0.597  1.00  0.00           H  
HETATM   47  H17 UNL     1      -2.930  -2.238  -1.383  1.00  0.00           H  
HETATM   48  H18 UNL     1      -4.183  -3.331  -1.308  1.00  0.00           H  
HETATM   49  H19 UNL     1      -6.568  -3.275   0.056  1.00  0.00           H  
HETATM   50  H20 UNL     1      -3.331   0.305  -1.129  1.00  0.00           H  
HETATM   51  H21 UNL     1      -1.996   1.148  -1.932  1.00  0.00           H  
HETATM   52  H22 UNL     1      -2.323   1.492   1.098  1.00  0.00           H  
HETATM   53  H23 UNL     1      -1.261   2.293  -0.087  1.00  0.00           H  
HETATM   54  H24 UNL     1      -4.294   2.474  -0.154  1.00  0.00           H  
HETATM   55  H25 UNL     1      -2.172   4.081  -1.489  1.00  0.00           H  
HETATM   56  H26 UNL     1      -3.854   4.078  -1.780  1.00  0.00           H  
HETATM   57  H27 UNL     1      -3.167   6.009   1.005  1.00  0.00           H  
HETATM   58  H28 UNL     1       0.115   0.446  -1.973  1.00  0.00           H  
CONECT    1    2   31   32
CONECT    2    3   28   33
CONECT    3    4   34   35
CONECT    4    5   36   37
CONECT    5    6    7   38
CONECT    6   39
CONECT    7    8   40   41
CONECT    8    9    9   27
CONECT    9   10   42
CONECT   10   11   12   12
CONECT   11   43
CONECT   12   13   19
CONECT   13   14   44   45
CONECT   14   15   16   46
CONECT   15   47   48
CONECT   16   17   17   18
CONECT   18   49
CONECT   19   20   27   27
CONECT   20   21   50   51
CONECT   21   22   52   53
CONECT   22   23   24   54
CONECT   23   55   56
CONECT   24   25   25   26
CONECT   26   57
CONECT   27   58
CONECT   28   29   29   30
END

HMDB0000851
     RDKit          3D
Pyridinoline
 58 58  0  0  0  0  0  0  0  0999 V2000
    6.4132   -0.7949    0.9266 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8786    0.5541    0.6617 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4372    0.7610   -0.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4258   -0.1585   -1.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0845   -0.2113   -0.6494 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3802    0.9906   -0.6955 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2194   -1.1670   -1.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9148   -1.1793   -0.8826 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.7109   -2.1091    0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5066   -2.2050    0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6977   -3.1696    1.7168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4879   -1.2909    0.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8072   -1.4093    1.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6303   -2.5773    0.4720 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8743   -2.3982   -0.9517 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9236   -2.6120    1.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9859   -2.7510    2.4469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1066   -2.4850    0.4988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3111   -0.3232   -0.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3198    0.6967   -0.9514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2771    1.8052    0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2811    2.8922   -0.2275 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0244    3.4798   -1.5400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0993    3.9512    0.8155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2814    3.6229    2.0132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7453    5.2451    0.4966 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0543   -0.3089   -1.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1561    1.0744    1.7917 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7764    1.1674    2.9265 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8574    1.4945    1.7986 O   0  0  0  0  0  1  0  0  0  0  0  0
    5.6455   -1.4958    0.9755 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8665   -0.7204    1.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9149    1.1452    0.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9855    1.8173   -0.7747 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3012    0.7656   -1.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8459   -1.2220   -1.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3441   -0.0152   -2.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0745   -0.5817    0.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6886    0.9462    0.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -2.1694   -1.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1743   -0.7985   -2.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4742   -2.8392    0.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5429   -3.2665    2.2482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7311   -1.5576    2.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4509   -0.5283    0.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1596   -3.5463    0.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9300   -2.2376   -1.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1828   -3.3315   -1.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5676   -3.2750    0.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3309    0.3047   -1.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9956    1.1483   -1.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3228    1.4924    1.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2608    2.2927   -0.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2943    2.4740   -0.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1722    4.0814   -1.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8542    4.0783   -1.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1667    6.0088    1.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1148    0.4456   -1.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
 12 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 24 26  1  0
 19 27  2  0
  2 28  1  0
 28 29  2  0
 28 30  1  0
 27  8  1  0
  1 31  1  0
  1 32  1  0
  2 33  1  6
  3 34  1  0
  3 35  1  0
  4 36  1  0
  4 37  1  0
  5 38  1  1
  6 39  1  0
  7 40  1  0
  7 41  1  0
  9 42  1  0
 11 43  1  0
 13 44  1  0
 13 45  1  0
 14 46  1  6
 15 47  1  0
 15 48  1  0
 18 49  1  0
 20 50  1  0
 20 51  1  0
 21 52  1  0
 21 53  1  0
 22 54  1  6
 23 55  1  0
 23 56  1  0
 26 57  1  0
 27 58  1  0
M  CHG  2   8   1  30  -1
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(+)-Pyridinoline	HMDB
1-(2S)-(+)-Pyridinoline	HMDB
4-((2S)-2-Amino-2-carboxyethyl)-1-((2R,5S)-5-amino-5-carboxy-2-hydroxypentyl)-3-((3S)-3-amino-3-carboxypropyl)-5-hydroxy-pyridinium inner salt	HMDB
Hydroxylysylpyridinoline	HMDB
Hydroxylysyl pyridinoline	HMDB
Pyridinoline	MeSH

Chemical Formula

C₁₈H₂₈N₄O₈

Average Molecular Weight

428.4369

Monoisotopic Molecular Weight

428.190713892

IUPAC Name

4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-1-[(2R,5S)-5-amino-5-carboxylato-2-hydroxypentyl]-5-hydroxypyridin-1-ium

Traditional Name

4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-1-[(2R,5S)-5-amino-5-carboxylato-2-hydroxypentyl]-5-hydroxypyridin-1-ium

CAS Registry Number

63800-01-1

SMILES

N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C([O-])=O)=CC(O)=C1C[C@H](N)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C18H28N4O8/c19-12(16(25)26)3-1-9-6-22(7-10(23)2-4-13(20)17(27)28)8-15(24)11(9)5-14(21)18(29)30/h6,8,10,12-14,23H,1-5,7,19-21H2,(H3-,24,25,26,27,28,29,30)/t10-,12+,13+,14+/m1/s1

InChI Key

LCYXYLLJXMAEMT-SAXRGWBVSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

L-alpha-amino acids

Alternative Parents

Substituents

L-alpha-amino acid
Tricarboxylic acid or derivatives
Hydroxypyridine
Aralkylamine
Pyridine
Pyridinium
Heteroaromatic compound
Carboxylic acid salt
Amino acid
Secondary alcohol
Carboxylic acid
Azacycle
Organoheterocyclic compound
Alcohol
Organic zwitterion
Organic salt
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Amine
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Bladder (HMDB: HMDB0000851)
Prostate (HMDB: HMDB0000851)

Tissue

Connective tissue

Cartilage (HMDB: HMDB0000851)

Epithelium

Epidermis (HMDB: HMDB0000851)

Cell

Fibroblasts (HMDB: HMDB0000851)

Biofluid or Excreta

Non-excretory biofluid

Blood (PMID: 15338487)

Excreta

Urine (PMID: 9316552)

Squab (FooDB: FOOD00481)
Pheasant (FooDB: FOOD00430)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Mallard duck (FooDB: FOOD00353)
Chicken (FooDB: FOOD00329)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Velvet duck (FooDB: FOOD00427)
Ostrich (FooDB: FOOD00422)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Industrial application

Pharmaceutical industry

Biomarker

Heart failure (MarkerDB: MDB00000266)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.45 g/L	ALOGPS
logP	-3.9	ALOGPS
logP	-13	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	0.73	ChemAxon
pKa (Strongest Basic)	9.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	237.13 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	114.84 m³·mol⁻¹	ChemAxon
Polarizability	43.12 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
AllCCS	[M+H]+	194.863	32859911
AllCCS	[M-H]-	192.691	32859911
DeepCCS	[M+H]+	187.644	30932474
DeepCCS	[M-H]-	185.248	30932474
DeepCCS	[M-2H]-	218.13	30932474
DeepCCS	[M+Na]+	193.556	30932474
AllCCS	[M+H]+	194.9	32859911
AllCCS	[M+H-H2O]+	192.8	32859911
AllCCS	[M+NH4]+	196.8	32859911
AllCCS	[M+Na]+	197.3	32859911
AllCCS	[M-H]-	192.7	32859911
AllCCS	[M+Na-2H]-	192.2	32859911
AllCCS	[M+HCOO]-	191.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Pyridinoline	N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C([O-])=O)=CC(O)=C1C[C@H](N)C(O)=O)C(O)=O	5374.7	Standard polar	33892256
Pyridinoline	N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C([O-])=O)=CC(O)=C1C[C@H](N)C(O)=O)C(O)=O	3587.6	Standard non polar	33892256
Pyridinoline	N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C([O-])=O)=CC(O)=C1C[C@H](N)C(O)=O)C(O)=O	4041.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Pyridinoline,1TMS,isomer #1	C[Si](C)(C)O[C@H](CC[C@H](N)C(=O)[O-])C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1	3829.6	Semi standard non polar	33892256
Pyridinoline,1TMS,isomer #2	C[Si](C)(C)OC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(CC[C@H](N)C(=O)O)=C1C[C@H](N)C(=O)O	3842.6	Semi standard non polar	33892256
Pyridinoline,1TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@H](N)C(=O)O	3759.2	Semi standard non polar	33892256
Pyridinoline,1TMS,isomer #4	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@H](N)C(=O)O	3741.8	Semi standard non polar	33892256
Pyridinoline,1TMS,isomer #5	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@H](N)C(=O)O)C(=O)O	3895.3	Semi standard non polar	33892256
Pyridinoline,1TMS,isomer #6	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)[O-]	3895.3	Semi standard non polar	33892256
Pyridinoline,1TMS,isomer #7	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@H](N)C(=O)O)C(=O)O	3881.0	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #1	C[Si](C)(C)OC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1C[C@H](N)C(=O)O	3721.7	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)O	3796.4	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #11	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C)C(=O)O	3792.2	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #12	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C	3583.6	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #13	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	3695.0	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #14	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)[O-]	3707.9	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #15	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	3713.3	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #16	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	3704.5	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #17	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)[O-]	3698.5	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #18	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	3700.7	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #19	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)[O-]	3856.4	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O	3651.1	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #20	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	3837.8	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #21	C[Si](C)(C)N([C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@H](N)C(=O)O)C(=O)O)[Si](C)(C)C	3968.7	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #22	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)[O-]	3848.7	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #23	C[Si](C)(C)N([C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)[O-])[Si](C)(C)C	4000.8	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #24	C[Si](C)(C)N([C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@H](N)C(=O)O)C(=O)O)[Si](C)(C)C	3952.9	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O	3644.2	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #4	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)O[Si](C)(C)C)C(=O)[O-]	3772.5	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #5	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O	3763.0	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)O	3765.8	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O	3669.0	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C	3683.8	Semi standard non polar	33892256
Pyridinoline,2TMS,isomer #9	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3800.7	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O	3598.1	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	3622.3	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3627.1	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #12	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	3622.4	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)O[Si](C)(C)C)C(=O)[O-]	3756.5	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)O[Si](C)(C)C)C(=O)[O-]	3764.7	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #15	C[Si](C)(C)O[C@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1	3903.6	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #16	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	3749.8	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #17	C[Si](C)(C)O[C@H](CC[C@H](N)C(=O)[O-])C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1	3858.2	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #18	C[Si](C)(C)O[C@H](CC[C@H](N)C(=O)[O-])C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	3859.7	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #19	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C	3567.2	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C	3605.9	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #20	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	3651.2	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #21	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3657.1	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #22	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C)C(=O)O	3660.7	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #23	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3652.8	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #24	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	3668.9	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #25	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3665.7	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #26	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3797.5	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #27	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3792.4	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #28	C[Si](C)(C)OC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1C[C@H](N)C(=O)O	3915.8	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #29	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	3781.7	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #3	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3707.1	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #30	C[Si](C)(C)OC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1C[C@H](N)C(=O)O	3881.6	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #31	C[Si](C)(C)OC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(CC[C@H](N)C(=O)O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3879.3	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #32	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3573.1	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #33	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)[O-]	3574.0	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #34	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3563.0	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #35	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)[O-]	3682.5	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #36	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	3691.4	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #37	C[Si](C)(C)OC(=O)[C@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3816.2	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #38	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)[O-]	3708.2	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #39	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O	3848.8	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)O	3709.3	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #40	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3817.8	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #41	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)[O-]	3686.9	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #42	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	3692.9	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #43	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3821.7	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #44	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)[O-]	3701.2	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #45	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O	3838.3	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #46	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3810.5	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #47	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)[O-]	3854.9	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #48	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)O	3969.6	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #49	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	3933.7	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #5	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3703.0	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #50	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3923.5	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #51	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3919.5	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #52	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O	3967.5	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #53	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)[O-]	3923.6	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #6	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C	3518.3	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #7	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	3612.7	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #8	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)O[Si](C)(C)C)C(=O)[O-]	3632.1	Semi standard non polar	33892256
Pyridinoline,3TMS,isomer #9	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	3636.6	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C	3541.7	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #10	C[Si](C)(C)OC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1C[C@H](N)C(=O)O	3841.5	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	3739.4	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #12	C[Si](C)(C)OC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1C[C@H](N)C(=O)O	3804.0	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #13	C[Si](C)(C)OC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3802.7	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3542.7	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #15	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3553.5	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #16	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3530.7	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)O[Si](C)(C)C)C(=O)[O-]	3639.8	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #18	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	3646.7	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3743.1	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	3608.6	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #20	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)O[Si](C)(C)C)C(=O)[O-]	3672.0	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #21	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O	3785.2	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #22	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3747.1	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #23	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3646.4	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #24	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	3646.7	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3743.7	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #26	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3658.0	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #27	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O	3782.0	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #28	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3742.8	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #29	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)O[Si](C)(C)C)C(=O)[O-]	3809.3	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3621.9	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #30	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O	3900.7	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #31	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)O[Si](C)(C)C)C(=O)[O-]	3851.0	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #32	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)O	3907.8	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #33	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3859.4	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #34	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3847.4	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #35	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3849.3	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #36	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3580.6	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #37	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3583.4	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #38	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3575.3	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #39	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3670.9	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #4	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3623.4	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #40	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C)C(=O)O	3673.5	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #41	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3777.1	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #42	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3687.1	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #43	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O	3813.6	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #44	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3773.7	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #45	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	3677.6	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #46	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3671.1	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #47	C[Si](C)(C)OC(=O)[C@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3781.6	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #48	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3699.4	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #49	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C	3782.6	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #5	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3606.1	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #50	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C	3815.5	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #51	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3834.0	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #52	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)O	3916.1	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #53	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3868.8	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #54	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3916.7	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #55	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3868.7	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #56	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C)C(=O)O	3861.6	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #57	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3863.7	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #58	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)[O-]	3597.6	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #59	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3584.4	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	3639.2	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #60	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3719.5	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #61	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)[O-]	3586.2	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #62	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C	3743.7	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #63	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3715.9	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #64	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)[O-]	3735.9	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #65	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	3838.2	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #66	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)[O-]	3792.2	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #67	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3794.3	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #68	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3803.5	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #69	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	3853.9	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #7	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3627.8	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #70	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	3805.0	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #71	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)[O-]	3733.6	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #72	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	3843.3	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #73	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	3798.5	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #74	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3798.1	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #75	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3799.4	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #76	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	3842.4	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #77	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)[O-]	3790.5	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #78	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	3973.8	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #79	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)[O-]	3925.7	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #8	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3754.8	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #80	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	3930.9	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #81	C[Si](C)(C)N([C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-])[Si](C)(C)C	4083.1	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #82	C[Si](C)(C)N([C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4014.7	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #83	C[Si](C)(C)N([C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)[O-])[Si](C)(C)C	4071.3	Semi standard non polar	33892256
Pyridinoline,4TMS,isomer #9	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3747.1	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3571.7	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3567.7	Standard non polar	33892256
Pyridinoline,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	5538.3	Standard polar	33892256
Pyridinoline,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	3676.7	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	3691.3	Standard non polar	33892256
Pyridinoline,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	5167.4	Standard polar	33892256
Pyridinoline,5TMS,isomer #11	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3670.9	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #11	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3684.4	Standard non polar	33892256
Pyridinoline,5TMS,isomer #11	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	5179.7	Standard polar	33892256
Pyridinoline,5TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3750.0	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3710.4	Standard non polar	33892256
Pyridinoline,5TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5721.9	Standard polar	33892256
Pyridinoline,5TMS,isomer #13	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3705.3	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #13	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3661.7	Standard non polar	33892256
Pyridinoline,5TMS,isomer #13	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	5018.4	Standard polar	33892256
Pyridinoline,5TMS,isomer #14	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C	3742.6	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #14	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C	3681.1	Standard non polar	33892256
Pyridinoline,5TMS,isomer #14	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C	5563.1	Standard polar	33892256
Pyridinoline,5TMS,isomer #15	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1O[Si](C)(C)C	3781.9	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #15	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1O[Si](C)(C)C	3656.9	Standard non polar	33892256
Pyridinoline,5TMS,isomer #15	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1O[Si](C)(C)C	5593.7	Standard polar	33892256
Pyridinoline,5TMS,isomer #16	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3828.3	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #16	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3795.7	Standard non polar	33892256
Pyridinoline,5TMS,isomer #16	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	4789.8	Standard polar	33892256
Pyridinoline,5TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)O	3886.0	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)O	3738.8	Standard non polar	33892256
Pyridinoline,5TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)O	5218.7	Standard polar	33892256
Pyridinoline,5TMS,isomer #18	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3832.4	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #18	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3764.2	Standard non polar	33892256
Pyridinoline,5TMS,isomer #18	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	5209.0	Standard polar	33892256
Pyridinoline,5TMS,isomer #19	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3876.6	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #19	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3762.4	Standard non polar	33892256
Pyridinoline,5TMS,isomer #19	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	5267.7	Standard polar	33892256
Pyridinoline,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3579.7	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3554.6	Standard non polar	33892256
Pyridinoline,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	5479.3	Standard polar	33892256
Pyridinoline,5TMS,isomer #20	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3831.1	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #20	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3791.8	Standard non polar	33892256
Pyridinoline,5TMS,isomer #20	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	5257.1	Standard polar	33892256
Pyridinoline,5TMS,isomer #21	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3821.4	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #21	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3788.1	Standard non polar	33892256
Pyridinoline,5TMS,isomer #21	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	5247.0	Standard polar	33892256
Pyridinoline,5TMS,isomer #22	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3828.9	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #22	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3791.5	Standard non polar	33892256
Pyridinoline,5TMS,isomer #22	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5246.5	Standard polar	33892256
Pyridinoline,5TMS,isomer #23	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3599.2	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #23	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3700.0	Standard non polar	33892256
Pyridinoline,5TMS,isomer #23	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	4952.1	Standard polar	33892256
Pyridinoline,5TMS,isomer #24	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3577.7	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #24	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3724.2	Standard non polar	33892256
Pyridinoline,5TMS,isomer #24	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	5112.7	Standard polar	33892256
Pyridinoline,5TMS,isomer #25	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3691.5	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #25	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3717.6	Standard non polar	33892256
Pyridinoline,5TMS,isomer #25	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5560.3	Standard polar	33892256
Pyridinoline,5TMS,isomer #26	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3585.8	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #26	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3720.4	Standard non polar	33892256
Pyridinoline,5TMS,isomer #26	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	5018.6	Standard polar	33892256
Pyridinoline,5TMS,isomer #27	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C	3707.9	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #27	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C	3684.8	Standard non polar	33892256
Pyridinoline,5TMS,isomer #27	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C	5475.1	Standard polar	33892256
Pyridinoline,5TMS,isomer #28	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3685.2	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #28	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3738.4	Standard non polar	33892256
Pyridinoline,5TMS,isomer #28	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5615.1	Standard polar	33892256
Pyridinoline,5TMS,isomer #29	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)O[Si](C)(C)C)C(=O)[O-]	3727.0	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #29	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)O[Si](C)(C)C)C(=O)[O-]	3834.5	Standard non polar	33892256
Pyridinoline,5TMS,isomer #29	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)O[Si](C)(C)C)C(=O)[O-]	4712.9	Standard polar	33892256
Pyridinoline,5TMS,isomer #3	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3570.3	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #3	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3586.3	Standard non polar	33892256
Pyridinoline,5TMS,isomer #3	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	5586.4	Standard polar	33892256
Pyridinoline,5TMS,isomer #30	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	3804.4	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #30	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	3797.9	Standard non polar	33892256
Pyridinoline,5TMS,isomer #30	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	5219.5	Standard polar	33892256
Pyridinoline,5TMS,isomer #31	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)O[Si](C)(C)C)C(=O)[O-]	3767.7	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #31	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)O[Si](C)(C)C)C(=O)[O-]	3826.2	Standard non polar	33892256
Pyridinoline,5TMS,isomer #31	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)O[Si](C)(C)C)C(=O)[O-]	5241.4	Standard polar	33892256
Pyridinoline,5TMS,isomer #32	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3756.8	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #32	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3825.1	Standard non polar	33892256
Pyridinoline,5TMS,isomer #32	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5198.9	Standard polar	33892256
Pyridinoline,5TMS,isomer #33	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3772.3	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #33	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3828.1	Standard non polar	33892256
Pyridinoline,5TMS,isomer #33	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5231.5	Standard polar	33892256
Pyridinoline,5TMS,isomer #34	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	3816.7	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #34	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	3773.3	Standard non polar	33892256
Pyridinoline,5TMS,isomer #34	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	5052.4	Standard polar	33892256
Pyridinoline,5TMS,isomer #35	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3765.6	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #35	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3799.2	Standard non polar	33892256
Pyridinoline,5TMS,isomer #35	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	5041.7	Standard polar	33892256
Pyridinoline,5TMS,isomer #36	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3722.1	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #36	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3831.4	Standard non polar	33892256
Pyridinoline,5TMS,isomer #36	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	4702.7	Standard polar	33892256
Pyridinoline,5TMS,isomer #37	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	3801.9	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #37	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	3772.7	Standard non polar	33892256
Pyridinoline,5TMS,isomer #37	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	5159.8	Standard polar	33892256
Pyridinoline,5TMS,isomer #38	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3767.2	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #38	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3797.4	Standard non polar	33892256
Pyridinoline,5TMS,isomer #38	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	5182.6	Standard polar	33892256
Pyridinoline,5TMS,isomer #39	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3757.3	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #39	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3825.2	Standard non polar	33892256
Pyridinoline,5TMS,isomer #39	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5190.6	Standard polar	33892256
Pyridinoline,5TMS,isomer #4	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3671.9	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #4	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3656.4	Standard non polar	33892256
Pyridinoline,5TMS,isomer #4	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	5128.2	Standard polar	33892256
Pyridinoline,5TMS,isomer #40	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3763.5	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #40	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3821.1	Standard non polar	33892256
Pyridinoline,5TMS,isomer #40	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5224.9	Standard polar	33892256
Pyridinoline,5TMS,isomer #41	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	3795.1	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #41	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	3791.1	Standard non polar	33892256
Pyridinoline,5TMS,isomer #41	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	5110.5	Standard polar	33892256
Pyridinoline,5TMS,isomer #42	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3746.5	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #42	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3820.1	Standard non polar	33892256
Pyridinoline,5TMS,isomer #42	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	5099.2	Standard polar	33892256
Pyridinoline,5TMS,isomer #43	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	3947.6	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #43	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	3878.9	Standard non polar	33892256
Pyridinoline,5TMS,isomer #43	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4837.6	Standard polar	33892256
Pyridinoline,5TMS,isomer #44	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)O[Si](C)(C)C)C(=O)[O-]	3890.7	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #44	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)O[Si](C)(C)C)C(=O)[O-]	3912.4	Standard non polar	33892256
Pyridinoline,5TMS,isomer #44	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)O[Si](C)(C)C)C(=O)[O-]	4835.1	Standard polar	33892256
Pyridinoline,5TMS,isomer #45	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3890.9	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #45	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3910.0	Standard non polar	33892256
Pyridinoline,5TMS,isomer #45	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	4834.9	Standard polar	33892256
Pyridinoline,5TMS,isomer #46	C[Si](C)(C)O[C@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1	4043.4	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #46	C[Si](C)(C)O[C@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1	3911.0	Standard non polar	33892256
Pyridinoline,5TMS,isomer #46	C[Si](C)(C)O[C@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1	5296.0	Standard polar	33892256
Pyridinoline,5TMS,isomer #47	C[Si](C)(C)O[C@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	4048.6	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #47	C[Si](C)(C)O[C@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	3887.4	Standard non polar	33892256
Pyridinoline,5TMS,isomer #47	C[Si](C)(C)O[C@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	5245.4	Standard polar	33892256
Pyridinoline,5TMS,isomer #48	C[Si](C)(C)O[C@H](CC[C@H](N)C(=O)[O-])C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	3978.1	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #48	C[Si](C)(C)O[C@H](CC[C@H](N)C(=O)[O-])C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	3934.5	Standard non polar	33892256
Pyridinoline,5TMS,isomer #48	C[Si](C)(C)O[C@H](CC[C@H](N)C(=O)[O-])C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	5276.7	Standard polar	33892256
Pyridinoline,5TMS,isomer #49	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3630.0	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #49	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3703.6	Standard non polar	33892256
Pyridinoline,5TMS,isomer #49	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	4953.2	Standard polar	33892256
Pyridinoline,5TMS,isomer #5	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3669.1	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #5	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3687.2	Standard non polar	33892256
Pyridinoline,5TMS,isomer #5	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	5164.9	Standard polar	33892256
Pyridinoline,5TMS,isomer #50	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3619.8	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #50	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3724.3	Standard non polar	33892256
Pyridinoline,5TMS,isomer #50	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	5104.3	Standard polar	33892256
Pyridinoline,5TMS,isomer #51	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C	3745.1	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #51	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C	3720.4	Standard non polar	33892256
Pyridinoline,5TMS,isomer #51	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C	5550.0	Standard polar	33892256
Pyridinoline,5TMS,isomer #52	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3623.1	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #52	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3722.2	Standard non polar	33892256
Pyridinoline,5TMS,isomer #52	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	5009.3	Standard polar	33892256
Pyridinoline,5TMS,isomer #53	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C	3771.7	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #53	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C	3689.2	Standard non polar	33892256
Pyridinoline,5TMS,isomer #53	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C	5462.8	Standard polar	33892256
Pyridinoline,5TMS,isomer #54	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3742.1	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #54	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3740.6	Standard non polar	33892256
Pyridinoline,5TMS,isomer #54	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5598.1	Standard polar	33892256
Pyridinoline,5TMS,isomer #55	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3738.0	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #55	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3816.4	Standard non polar	33892256
Pyridinoline,5TMS,isomer #55	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)[O-]	4711.3	Standard polar	33892256
Pyridinoline,5TMS,isomer #56	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	3834.1	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #56	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	3764.9	Standard non polar	33892256
Pyridinoline,5TMS,isomer #56	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	5156.0	Standard polar	33892256
Pyridinoline,5TMS,isomer #57	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3791.2	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #57	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3790.1	Standard non polar	33892256
Pyridinoline,5TMS,isomer #57	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)[O-]	5177.7	Standard polar	33892256
Pyridinoline,5TMS,isomer #58	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3782.1	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #58	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3819.1	Standard non polar	33892256
Pyridinoline,5TMS,isomer #58	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5186.7	Standard polar	33892256
Pyridinoline,5TMS,isomer #59	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C)C(=O)O	3787.5	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #59	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C)C(=O)O	3812.4	Standard non polar	33892256
Pyridinoline,5TMS,isomer #59	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C)C(=O)O	5219.8	Standard polar	33892256
Pyridinoline,5TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3753.5	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3683.0	Standard non polar	33892256
Pyridinoline,5TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5676.5	Standard polar	33892256
Pyridinoline,5TMS,isomer #60	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3827.7	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #60	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3786.8	Standard non polar	33892256
Pyridinoline,5TMS,isomer #60	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	5105.1	Standard polar	33892256
Pyridinoline,5TMS,isomer #61	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3772.9	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #61	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3819.2	Standard non polar	33892256
Pyridinoline,5TMS,isomer #61	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	5093.7	Standard polar	33892256
Pyridinoline,5TMS,isomer #62	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3744.2	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #62	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3821.2	Standard non polar	33892256
Pyridinoline,5TMS,isomer #62	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	4716.2	Standard polar	33892256
Pyridinoline,5TMS,isomer #63	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3782.6	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #63	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3819.1	Standard non polar	33892256
Pyridinoline,5TMS,isomer #63	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	5190.6	Standard polar	33892256
Pyridinoline,5TMS,isomer #64	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3799.5	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #64	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3820.0	Standard non polar	33892256
Pyridinoline,5TMS,isomer #64	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5223.6	Standard polar	33892256
Pyridinoline,5TMS,isomer #65	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3832.5	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #65	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3791.9	Standard non polar	33892256
Pyridinoline,5TMS,isomer #65	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	5207.7	Standard polar	33892256
Pyridinoline,5TMS,isomer #66	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3791.1	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #66	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3820.2	Standard non polar	33892256
Pyridinoline,5TMS,isomer #66	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	5229.5	Standard polar	33892256
Pyridinoline,5TMS,isomer #67	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	3841.8	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #67	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	3771.8	Standard non polar	33892256
Pyridinoline,5TMS,isomer #67	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	5050.7	Standard polar	33892256
Pyridinoline,5TMS,isomer #68	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3786.0	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #68	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3800.7	Standard non polar	33892256
Pyridinoline,5TMS,isomer #68	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	5039.8	Standard polar	33892256
Pyridinoline,5TMS,isomer #69	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	3960.6	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #69	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	3864.1	Standard non polar	33892256
Pyridinoline,5TMS,isomer #69	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4845.0	Standard polar	33892256
Pyridinoline,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3686.1	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3678.4	Standard non polar	33892256
Pyridinoline,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	5073.8	Standard polar	33892256
Pyridinoline,5TMS,isomer #70	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3909.3	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #70	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3894.2	Standard non polar	33892256
Pyridinoline,5TMS,isomer #70	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)[O-]	4841.1	Standard polar	33892256
Pyridinoline,5TMS,isomer #71	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3909.8	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #71	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3897.3	Standard non polar	33892256
Pyridinoline,5TMS,isomer #71	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	4841.7	Standard polar	33892256
Pyridinoline,5TMS,isomer #72	C[Si](C)(C)OC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1C[C@H](N)C(=O)O	4051.7	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #72	C[Si](C)(C)OC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1C[C@H](N)C(=O)O	3875.7	Standard non polar	33892256
Pyridinoline,5TMS,isomer #72	C[Si](C)(C)OC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1C[C@H](N)C(=O)O	5242.0	Standard polar	33892256
Pyridinoline,5TMS,isomer #73	C[Si](C)(C)OC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4059.3	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #73	C[Si](C)(C)OC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3901.1	Standard non polar	33892256
Pyridinoline,5TMS,isomer #73	C[Si](C)(C)OC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5289.3	Standard polar	33892256
Pyridinoline,5TMS,isomer #74	C[Si](C)(C)OC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3993.6	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #74	C[Si](C)(C)OC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3923.7	Standard non polar	33892256
Pyridinoline,5TMS,isomer #74	C[Si](C)(C)OC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5272.6	Standard polar	33892256
Pyridinoline,5TMS,isomer #75	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)[O-]	3648.3	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #75	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)[O-]	3843.0	Standard non polar	33892256
Pyridinoline,5TMS,isomer #75	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)[O-]	4631.4	Standard polar	33892256
Pyridinoline,5TMS,isomer #76	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3767.2	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #76	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3797.1	Standard non polar	33892256
Pyridinoline,5TMS,isomer #76	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4990.7	Standard polar	33892256
Pyridinoline,5TMS,isomer #77	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	3738.6	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #77	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	3821.6	Standard non polar	33892256
Pyridinoline,5TMS,isomer #77	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	5011.2	Standard polar	33892256
Pyridinoline,5TMS,isomer #78	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3742.7	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #78	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3844.2	Standard non polar	33892256
Pyridinoline,5TMS,isomer #78	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5171.8	Standard polar	33892256
Pyridinoline,5TMS,isomer #79	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3741.7	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #79	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3846.9	Standard non polar	33892256
Pyridinoline,5TMS,isomer #79	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5170.6	Standard polar	33892256
Pyridinoline,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O	3774.9	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O	3650.1	Standard non polar	33892256
Pyridinoline,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O	5596.8	Standard polar	33892256
Pyridinoline,5TMS,isomer #80	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3763.3	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #80	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3817.8	Standard non polar	33892256
Pyridinoline,5TMS,isomer #80	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	5055.2	Standard polar	33892256
Pyridinoline,5TMS,isomer #81	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)[O-]	3729.2	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #81	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)[O-]	3843.3	Standard non polar	33892256
Pyridinoline,5TMS,isomer #81	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)[O-]	5075.2	Standard polar	33892256
Pyridinoline,5TMS,isomer #82	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	3893.6	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #82	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	3885.7	Standard non polar	33892256
Pyridinoline,5TMS,isomer #82	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4770.0	Standard polar	33892256
Pyridinoline,5TMS,isomer #83	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)[O-]	3841.2	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #83	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)[O-]	3908.9	Standard non polar	33892256
Pyridinoline,5TMS,isomer #83	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)[O-]	4795.8	Standard polar	33892256
Pyridinoline,5TMS,isomer #84	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	3833.5	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #84	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	3916.9	Standard non polar	33892256
Pyridinoline,5TMS,isomer #84	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	4766.2	Standard polar	33892256
Pyridinoline,5TMS,isomer #85	C[Si](C)(C)OC(=O)[C@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4015.3	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #85	C[Si](C)(C)OC(=O)[C@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3923.6	Standard non polar	33892256
Pyridinoline,5TMS,isomer #85	C[Si](C)(C)OC(=O)[C@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5273.6	Standard polar	33892256
Pyridinoline,5TMS,isomer #86	C[Si](C)(C)OC(=O)[C@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3967.0	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #86	C[Si](C)(C)OC(=O)[C@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3945.4	Standard non polar	33892256
Pyridinoline,5TMS,isomer #86	C[Si](C)(C)OC(=O)[C@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5256.7	Standard polar	33892256
Pyridinoline,5TMS,isomer #87	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4010.0	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #87	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3892.7	Standard non polar	33892256
Pyridinoline,5TMS,isomer #87	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5082.2	Standard polar	33892256
Pyridinoline,5TMS,isomer #88	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	3888.8	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #88	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	3881.1	Standard non polar	33892256
Pyridinoline,5TMS,isomer #88	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4759.6	Standard polar	33892256
Pyridinoline,5TMS,isomer #89	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)[O-]	3830.3	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #89	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)[O-]	3915.6	Standard non polar	33892256
Pyridinoline,5TMS,isomer #89	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)[O-]	4756.2	Standard polar	33892256
Pyridinoline,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3735.4	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3700.2	Standard non polar	33892256
Pyridinoline,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5610.3	Standard polar	33892256
Pyridinoline,5TMS,isomer #90	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	3834.5	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #90	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	3903.1	Standard non polar	33892256
Pyridinoline,5TMS,isomer #90	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	4786.2	Standard polar	33892256
Pyridinoline,5TMS,isomer #91	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4018.6	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #91	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3899.7	Standard non polar	33892256
Pyridinoline,5TMS,isomer #91	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5215.9	Standard polar	33892256
Pyridinoline,5TMS,isomer #92	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3969.9	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #92	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3942.4	Standard non polar	33892256
Pyridinoline,5TMS,isomer #92	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5249.6	Standard polar	33892256
Pyridinoline,5TMS,isomer #93	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4001.3	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #93	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3915.7	Standard non polar	33892256
Pyridinoline,5TMS,isomer #93	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5136.8	Standard polar	33892256
Pyridinoline,5TMS,isomer #94	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4106.9	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #94	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3962.7	Standard non polar	33892256
Pyridinoline,5TMS,isomer #94	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4900.9	Standard polar	33892256
Pyridinoline,5TMS,isomer #95	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4105.6	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #95	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3967.1	Standard non polar	33892256
Pyridinoline,5TMS,isomer #95	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4901.1	Standard polar	33892256
Pyridinoline,5TMS,isomer #96	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	4060.1	Semi standard non polar	33892256
Pyridinoline,5TMS,isomer #96	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	3998.0	Standard non polar	33892256
Pyridinoline,5TMS,isomer #96	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	4893.7	Standard polar	33892256
Pyridinoline,6TMS,isomer #1	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3639.2	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #1	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3657.4	Standard non polar	33892256
Pyridinoline,6TMS,isomer #1	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	4771.5	Standard polar	33892256
Pyridinoline,6TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3773.1	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3787.6	Standard non polar	33892256
Pyridinoline,6TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4992.1	Standard polar	33892256
Pyridinoline,6TMS,isomer #11	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3794.7	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #11	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3783.1	Standard non polar	33892256
Pyridinoline,6TMS,isomer #11	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	5018.2	Standard polar	33892256
Pyridinoline,6TMS,isomer #12	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3818.3	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #12	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3749.5	Standard non polar	33892256
Pyridinoline,6TMS,isomer #12	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	4909.0	Standard polar	33892256
Pyridinoline,6TMS,isomer #13	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3772.8	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #13	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3775.9	Standard non polar	33892256
Pyridinoline,6TMS,isomer #13	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	4902.6	Standard polar	33892256
Pyridinoline,6TMS,isomer #14	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3754.2	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #14	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3788.8	Standard non polar	33892256
Pyridinoline,6TMS,isomer #14	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	4466.1	Standard polar	33892256
Pyridinoline,6TMS,isomer #15	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3777.9	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #15	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3789.4	Standard non polar	33892256
Pyridinoline,6TMS,isomer #15	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4993.5	Standard polar	33892256
Pyridinoline,6TMS,isomer #16	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3798.5	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #16	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3788.9	Standard non polar	33892256
Pyridinoline,6TMS,isomer #16	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5020.2	Standard polar	33892256
Pyridinoline,6TMS,isomer #17	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3819.8	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #17	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3757.6	Standard non polar	33892256
Pyridinoline,6TMS,isomer #17	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	5002.4	Standard polar	33892256
Pyridinoline,6TMS,isomer #18	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3790.4	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #18	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3781.0	Standard non polar	33892256
Pyridinoline,6TMS,isomer #18	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	5022.3	Standard polar	33892256
Pyridinoline,6TMS,isomer #19	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	3833.7	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #19	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	3733.5	Standard non polar	33892256
Pyridinoline,6TMS,isomer #19	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4861.5	Standard polar	33892256
Pyridinoline,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3625.2	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3692.0	Standard non polar	33892256
Pyridinoline,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4911.6	Standard polar	33892256
Pyridinoline,6TMS,isomer #20	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3788.8	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #20	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3756.4	Standard non polar	33892256
Pyridinoline,6TMS,isomer #20	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	4854.7	Standard polar	33892256
Pyridinoline,6TMS,isomer #21	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	3959.2	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #21	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	3842.2	Standard non polar	33892256
Pyridinoline,6TMS,isomer #21	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4593.0	Standard polar	33892256
Pyridinoline,6TMS,isomer #22	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3900.4	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #22	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3871.7	Standard non polar	33892256
Pyridinoline,6TMS,isomer #22	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	4596.7	Standard polar	33892256
Pyridinoline,6TMS,isomer #23	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3901.4	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #23	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3874.8	Standard non polar	33892256
Pyridinoline,6TMS,isomer #23	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	4598.0	Standard polar	33892256
Pyridinoline,6TMS,isomer #24	C[Si](C)(C)OC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1C[C@H](N)C(=O)O	4053.0	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #24	C[Si](C)(C)OC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1C[C@H](N)C(=O)O	3840.1	Standard non polar	33892256
Pyridinoline,6TMS,isomer #24	C[Si](C)(C)OC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1C[C@H](N)C(=O)O	5040.0	Standard polar	33892256
Pyridinoline,6TMS,isomer #25	C[Si](C)(C)OC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4053.9	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #25	C[Si](C)(C)OC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3864.8	Standard non polar	33892256
Pyridinoline,6TMS,isomer #25	C[Si](C)(C)OC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5083.0	Standard polar	33892256
Pyridinoline,6TMS,isomer #26	C[Si](C)(C)OC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3987.7	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #26	C[Si](C)(C)OC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3892.8	Standard non polar	33892256
Pyridinoline,6TMS,isomer #26	C[Si](C)(C)OC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5073.4	Standard polar	33892256
Pyridinoline,6TMS,isomer #27	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3642.4	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #27	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3828.6	Standard non polar	33892256
Pyridinoline,6TMS,isomer #27	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	4366.9	Standard polar	33892256
Pyridinoline,6TMS,isomer #28	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3752.9	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #28	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3769.4	Standard non polar	33892256
Pyridinoline,6TMS,isomer #28	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4792.3	Standard polar	33892256
Pyridinoline,6TMS,isomer #29	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3737.0	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #29	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3792.8	Standard non polar	33892256
Pyridinoline,6TMS,isomer #29	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	4809.9	Standard polar	33892256
Pyridinoline,6TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C	3738.0	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C	3679.5	Standard non polar	33892256
Pyridinoline,6TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1O[Si](C)(C)C	5388.7	Standard polar	33892256
Pyridinoline,6TMS,isomer #30	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3731.8	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #30	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3819.8	Standard non polar	33892256
Pyridinoline,6TMS,isomer #30	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4963.1	Standard polar	33892256
Pyridinoline,6TMS,isomer #31	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3726.9	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #31	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3820.8	Standard non polar	33892256
Pyridinoline,6TMS,isomer #31	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4961.9	Standard polar	33892256
Pyridinoline,6TMS,isomer #32	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3746.7	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #32	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3788.4	Standard non polar	33892256
Pyridinoline,6TMS,isomer #32	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4851.8	Standard polar	33892256
Pyridinoline,6TMS,isomer #33	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3721.8	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #33	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3812.3	Standard non polar	33892256
Pyridinoline,6TMS,isomer #33	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	4869.0	Standard polar	33892256
Pyridinoline,6TMS,isomer #34	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	3880.1	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #34	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	3882.1	Standard non polar	33892256
Pyridinoline,6TMS,isomer #34	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4509.0	Standard polar	33892256
Pyridinoline,6TMS,isomer #35	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)O[Si](C)(C)C)C(=O)[O-]	3838.9	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #35	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)O[Si](C)(C)C)C(=O)[O-]	3909.1	Standard non polar	33892256
Pyridinoline,6TMS,isomer #35	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)O[Si](C)(C)C)C(=O)[O-]	4537.0	Standard polar	33892256
Pyridinoline,6TMS,isomer #36	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3824.2	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #36	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3909.9	Standard non polar	33892256
Pyridinoline,6TMS,isomer #36	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	4513.0	Standard polar	33892256
Pyridinoline,6TMS,isomer #37	C[Si](C)(C)OC(=O)[C@H](CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3996.2	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #37	C[Si](C)(C)OC(=O)[C@H](CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3893.9	Standard non polar	33892256
Pyridinoline,6TMS,isomer #37	C[Si](C)(C)OC(=O)[C@H](CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5055.0	Standard polar	33892256
Pyridinoline,6TMS,isomer #38	C[Si](C)(C)OC(=O)[C@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3944.5	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #38	C[Si](C)(C)OC(=O)[C@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3920.3	Standard non polar	33892256
Pyridinoline,6TMS,isomer #38	C[Si](C)(C)OC(=O)[C@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5045.5	Standard polar	33892256
Pyridinoline,6TMS,isomer #39	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3989.1	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #39	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3869.7	Standard non polar	33892256
Pyridinoline,6TMS,isomer #39	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4881.8	Standard polar	33892256
Pyridinoline,6TMS,isomer #4	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3632.9	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #4	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3675.9	Standard non polar	33892256
Pyridinoline,6TMS,isomer #4	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	4822.6	Standard polar	33892256
Pyridinoline,6TMS,isomer #40	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	3871.6	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #40	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	3879.0	Standard non polar	33892256
Pyridinoline,6TMS,isomer #40	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4496.8	Standard polar	33892256
Pyridinoline,6TMS,isomer #41	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3815.3	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #41	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3911.6	Standard non polar	33892256
Pyridinoline,6TMS,isomer #41	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	4501.6	Standard polar	33892256
Pyridinoline,6TMS,isomer #42	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3834.5	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #42	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3903.3	Standard non polar	33892256
Pyridinoline,6TMS,isomer #42	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	4525.3	Standard polar	33892256
Pyridinoline,6TMS,isomer #43	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3998.8	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #43	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3869.3	Standard non polar	33892256
Pyridinoline,6TMS,isomer #43	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5002.3	Standard polar	33892256
Pyridinoline,6TMS,isomer #44	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3944.9	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #44	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3919.0	Standard non polar	33892256
Pyridinoline,6TMS,isomer #44	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5039.0	Standard polar	33892256
Pyridinoline,6TMS,isomer #45	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3981.6	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #45	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3888.5	Standard non polar	33892256
Pyridinoline,6TMS,isomer #45	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4931.3	Standard polar	33892256
Pyridinoline,6TMS,isomer #46	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4109.3	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #46	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3964.0	Standard non polar	33892256
Pyridinoline,6TMS,isomer #46	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4643.0	Standard polar	33892256
Pyridinoline,6TMS,isomer #47	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4111.3	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #47	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3968.5	Standard non polar	33892256
Pyridinoline,6TMS,isomer #47	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4643.8	Standard polar	33892256
Pyridinoline,6TMS,isomer #48	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	4058.3	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #48	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3996.8	Standard non polar	33892256
Pyridinoline,6TMS,isomer #48	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	4643.0	Standard polar	33892256
Pyridinoline,6TMS,isomer #49	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3689.8	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #49	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3821.7	Standard non polar	33892256
Pyridinoline,6TMS,isomer #49	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	4388.4	Standard polar	33892256
Pyridinoline,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C	3750.1	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C	3644.5	Standard non polar	33892256
Pyridinoline,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C	5308.5	Standard polar	33892256
Pyridinoline,6TMS,isomer #50	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3800.4	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #50	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3772.7	Standard non polar	33892256
Pyridinoline,6TMS,isomer #50	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4807.2	Standard polar	33892256
Pyridinoline,6TMS,isomer #51	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3781.0	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #51	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3794.5	Standard non polar	33892256
Pyridinoline,6TMS,isomer #51	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	4823.3	Standard polar	33892256
Pyridinoline,6TMS,isomer #52	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3779.1	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #52	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3819.3	Standard non polar	33892256
Pyridinoline,6TMS,isomer #52	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4965.0	Standard polar	33892256
Pyridinoline,6TMS,isomer #53	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3770.8	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #53	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3820.7	Standard non polar	33892256
Pyridinoline,6TMS,isomer #53	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4965.4	Standard polar	33892256
Pyridinoline,6TMS,isomer #54	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3801.9	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #54	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3788.9	Standard non polar	33892256
Pyridinoline,6TMS,isomer #54	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4856.6	Standard polar	33892256
Pyridinoline,6TMS,isomer #55	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3768.8	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #55	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3814.0	Standard non polar	33892256
Pyridinoline,6TMS,isomer #55	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	4873.4	Standard polar	33892256
Pyridinoline,6TMS,isomer #56	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3899.8	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #56	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3865.0	Standard non polar	33892256
Pyridinoline,6TMS,isomer #56	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	4524.2	Standard polar	33892256
Pyridinoline,6TMS,isomer #57	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3858.1	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #57	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3889.9	Standard non polar	33892256
Pyridinoline,6TMS,isomer #57	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)[O-]	4549.6	Standard polar	33892256
Pyridinoline,6TMS,isomer #58	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3837.3	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #58	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3901.4	Standard non polar	33892256
Pyridinoline,6TMS,isomer #58	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	4527.0	Standard polar	33892256
Pyridinoline,6TMS,isomer #59	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4027.7	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #59	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3864.1	Standard non polar	33892256
Pyridinoline,6TMS,isomer #59	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5013.7	Standard polar	33892256
Pyridinoline,6TMS,isomer #6	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3723.5	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #6	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3701.0	Standard non polar	33892256
Pyridinoline,6TMS,isomer #6	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5433.2	Standard polar	33892256
Pyridinoline,6TMS,isomer #60	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3974.4	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #60	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3916.5	Standard non polar	33892256
Pyridinoline,6TMS,isomer #60	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5048.5	Standard polar	33892256
Pyridinoline,6TMS,isomer #61	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4013.9	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #61	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3887.9	Standard non polar	33892256
Pyridinoline,6TMS,isomer #61	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4941.6	Standard polar	33892256
Pyridinoline,6TMS,isomer #62	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	3909.0	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #62	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	3870.2	Standard non polar	33892256
Pyridinoline,6TMS,isomer #62	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4529.0	Standard polar	33892256
Pyridinoline,6TMS,isomer #63	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3847.8	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #63	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3901.3	Standard non polar	33892256
Pyridinoline,6TMS,isomer #63	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	4530.6	Standard polar	33892256
Pyridinoline,6TMS,isomer #64	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3864.6	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #64	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3897.6	Standard non polar	33892256
Pyridinoline,6TMS,isomer #64	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	4555.1	Standard polar	33892256
Pyridinoline,6TMS,isomer #65	C[Si](C)(C)OC(=O)[C@H](CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3972.0	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #65	C[Si](C)(C)OC(=O)[C@H](CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3918.1	Standard non polar	33892256
Pyridinoline,6TMS,isomer #65	C[Si](C)(C)OC(=O)[C@H](CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5050.6	Standard polar	33892256
Pyridinoline,6TMS,isomer #66	C[Si](C)(C)OC(=O)[C@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4030.8	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #66	C[Si](C)(C)OC(=O)[C@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3889.9	Standard non polar	33892256
Pyridinoline,6TMS,isomer #66	C[Si](C)(C)OC(=O)[C@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5058.8	Standard polar	33892256
Pyridinoline,6TMS,isomer #67	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C	4017.8	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #67	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C	3871.1	Standard non polar	33892256
Pyridinoline,6TMS,isomer #67	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C	4894.6	Standard polar	33892256
Pyridinoline,6TMS,isomer #68	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	4108.3	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #68	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3949.9	Standard non polar	33892256
Pyridinoline,6TMS,isomer #68	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	4663.8	Standard polar	33892256
Pyridinoline,6TMS,isomer #69	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4112.7	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #69	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3955.7	Standard non polar	33892256
Pyridinoline,6TMS,isomer #69	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4665.0	Standard polar	33892256
Pyridinoline,6TMS,isomer #7	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3747.6	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #7	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3783.3	Standard non polar	33892256
Pyridinoline,6TMS,isomer #7	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	4461.8	Standard polar	33892256
Pyridinoline,6TMS,isomer #70	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	4054.9	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #70	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	3984.3	Standard non polar	33892256
Pyridinoline,6TMS,isomer #70	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)[O-]	4662.1	Standard polar	33892256
Pyridinoline,6TMS,isomer #71	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3830.7	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #71	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3899.4	Standard non polar	33892256
Pyridinoline,6TMS,isomer #71	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4436.9	Standard polar	33892256
Pyridinoline,6TMS,isomer #72	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)[O-]	3796.3	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #72	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)[O-]	3924.0	Standard non polar	33892256
Pyridinoline,6TMS,isomer #72	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)[O-]	4461.9	Standard polar	33892256
Pyridinoline,6TMS,isomer #73	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	3800.8	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #73	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	3921.5	Standard non polar	33892256
Pyridinoline,6TMS,isomer #73	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	4462.8	Standard polar	33892256
Pyridinoline,6TMS,isomer #74	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3977.5	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #74	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3890.1	Standard non polar	33892256
Pyridinoline,6TMS,isomer #74	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4855.7	Standard polar	33892256
Pyridinoline,6TMS,isomer #75	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3942.1	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #75	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3939.5	Standard non polar	33892256
Pyridinoline,6TMS,isomer #75	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5020.2	Standard polar	33892256
Pyridinoline,6TMS,isomer #76	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3974.3	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #76	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3910.2	Standard non polar	33892256
Pyridinoline,6TMS,isomer #76	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4912.3	Standard polar	33892256
Pyridinoline,6TMS,isomer #77	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4067.3	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #77	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3976.0	Standard non polar	33892256
Pyridinoline,6TMS,isomer #77	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4583.4	Standard polar	33892256
Pyridinoline,6TMS,isomer #78	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4073.3	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #78	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3972.1	Standard non polar	33892256
Pyridinoline,6TMS,isomer #78	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4607.1	Standard polar	33892256
Pyridinoline,6TMS,isomer #79	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	4019.5	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #79	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	4001.2	Standard non polar	33892256
Pyridinoline,6TMS,isomer #79	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	4604.4	Standard polar	33892256
Pyridinoline,6TMS,isomer #8	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	3820.6	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #8	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	3731.9	Standard non polar	33892256
Pyridinoline,6TMS,isomer #8	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4957.3	Standard polar	33892256
Pyridinoline,6TMS,isomer #80	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4063.1	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #80	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3977.1	Standard non polar	33892256
Pyridinoline,6TMS,isomer #80	C[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4572.4	Standard polar	33892256
Pyridinoline,6TMS,isomer #81	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4073.7	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #81	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3966.1	Standard non polar	33892256
Pyridinoline,6TMS,isomer #81	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4595.7	Standard polar	33892256
Pyridinoline,6TMS,isomer #82	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	4020.7	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #82	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	3999.3	Standard non polar	33892256
Pyridinoline,6TMS,isomer #82	C[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-]	4593.8	Standard polar	33892256
Pyridinoline,6TMS,isomer #83	C[Si](C)(C)N([C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-])[Si](C)(C)C	4291.8	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #83	C[Si](C)(C)N([C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-])[Si](C)(C)C	4063.5	Standard non polar	33892256
Pyridinoline,6TMS,isomer #83	C[Si](C)(C)N([C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)[O-])[Si](C)(C)C	4722.4	Standard polar	33892256
Pyridinoline,6TMS,isomer #9	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3798.4	Semi standard non polar	33892256
Pyridinoline,6TMS,isomer #9	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	3753.5	Standard non polar	33892256
Pyridinoline,6TMS,isomer #9	C[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)C(=O)[O-]	4976.5	Standard polar	33892256
Pyridinoline,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H](CC[C@H](N)C(=O)[O-])C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1	4093.2	Semi standard non polar	33892256
Pyridinoline,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(CC[C@H](N)C(=O)O)=C1C[C@H](N)C(=O)O	4112.4	Semi standard non polar	33892256
Pyridinoline,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@H](N)C(=O)O	4048.4	Semi standard non polar	33892256
Pyridinoline,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@H](N)C(=O)O	4024.4	Semi standard non polar	33892256
Pyridinoline,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@H](N)C(=O)O)C(=O)O	4160.9	Semi standard non polar	33892256
Pyridinoline,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)[O-]	4167.6	Semi standard non polar	33892256
Pyridinoline,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@H](N)C(=O)O)C(=O)O	4152.5	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1C[C@H](N)C(=O)O	4226.2	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)O	4286.3	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C(C)(C)C)C(=O)O	4282.3	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	4145.3	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	4223.6	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)[O-]	4228.6	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4236.8	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	4220.2	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4209.4	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4211.3	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1)C(=O)[O-]	4331.8	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O	4191.0	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	4315.8	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N([C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@H](N)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	4424.9	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)[O-]	4329.3	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N([C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)[O-])[Si](C)(C)C(C)(C)C	4453.1	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N([C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@H](N)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	4419.8	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O	4172.0	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4259.2	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O	4249.0	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)O	4257.5	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O	4188.9	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C(C)(C)C	4205.2	Semi standard non polar	33892256
Pyridinoline,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4285.9	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O	4332.9	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	4332.5	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4340.2	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4328.2	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4449.3	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4455.1	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1	4609.2	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)=CC(O)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	4445.1	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@H](CC[C@H](N)C(=O)[O-])C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O)=C1	4566.0	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@H](CC[C@H](N)C(=O)[O-])C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1	4563.0	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	4299.8	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4340.4	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	4350.1	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4357.6	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C(C)(C)C)C(=O)O	4354.1	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4358.1	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4377.2	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4373.9	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4477.2	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4474.5	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1C[C@H](N)C(=O)O	4617.8	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	4472.8	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4417.1	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O	4575.6	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(CC[C@H](N)C(=O)O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4583.3	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4300.0	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4292.8	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4284.4	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)[O-]	4386.7	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4392.5	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4534.7	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1)C(=O)[O-]	4408.5	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O	4563.2	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)O	4412.6	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4530.1	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4375.6	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4378.2	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4530.9	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4383.7	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O	4540.4	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4505.1	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1)C(=O)[O-]	4517.9	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)O	4651.0	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4613.4	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C)C(=O)O	4406.2	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4607.6	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4615.6	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O	4647.3	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)[O-]	4616.5	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	4283.8	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	4336.5	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O)=C1)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4359.6	Semi standard non polar	33892256
Pyridinoline,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4358.0	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	4452.6	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1C[C@H](N)C(=O)O	4794.2	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	4628.1	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O	4742.1	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4748.4	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4443.1	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4448.8	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4426.0	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O)=C1)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4538.5	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)=CC(O)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4543.4	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4712.9	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	4505.0	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4571.9	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O	4748.7	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4701.5	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4527.6	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4521.7	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4704.9	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4535.1	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O	4727.0	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4683.5	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4673.0	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4516.9	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O	4807.2	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O)=C1)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4779.8	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)O	4813.3	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4772.7	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4756.2	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4768.5	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4464.3	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4470.1	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4452.7	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4542.7	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C)C(=O)O	4505.0	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C(C)(C)C)C(=O)O	4535.9	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4711.5	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4549.2	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O	4737.7	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4698.6	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4559.1	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4556.7	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4723.6	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4580.6	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C(C)(C)C	4709.8	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4513.8	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4753.8	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #51	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4685.0	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #52	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)O	4828.1	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #53	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4785.5	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #54	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C)C(=O)O	4826.9	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #55	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4796.4	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #56	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1O[Si](C)(C)C(C)(C)C)C(=O)O	4773.2	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #57	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4785.9	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #58	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4466.5	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #59	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4448.2	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@@H](CC[C@H](N)C(=O)[O-])O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4535.9	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #60	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4651.9	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #61	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4446.6	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	4665.0	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4632.9	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #64	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1)C(=O)[O-]	4589.2	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #65	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	4759.3	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #66	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)[O-]	4736.2	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #67	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4707.1	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #68	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4732.0	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #69	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4769.8	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4537.2	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #70	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4725.6	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #71	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4572.0	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #72	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	4752.0	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #73	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4726.0	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #74	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4701.0	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #75	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])C=C1CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4714.6	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #76	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4744.4	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #77	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4710.3	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #78	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(O)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	4850.4	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #79	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1)C(=O)[O-]	4822.5	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4640.1	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #80	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	4813.5	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #81	CC(C)(C)[Si](C)(C)N([C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-])[Si](C)(C)C(C)(C)C	4961.0	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #82	CC(C)(C)[Si](C)(C)N([C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C(=O)[O-])=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4926.1	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #83	CC(C)(C)[Si](C)(C)N([C@@H](CC[C@@H](O)C[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)[O-])[Si](C)(C)C(C)(C)C	4963.7	Semi standard non polar	33892256
Pyridinoline,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](C[N+]1=CC(CC[C@H](N)C(=O)O)=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4631.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (Non-derivatized) - 70eV, Positive	splash10-001i-1139100000-5d8fc20ccc7b98532363	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (3 TMS) - 70eV, Positive	splash10-001u-3200292000-91125c23cde5753b8015	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (TMS_4_47) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (TBDMS_4_47) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS ("Pyridinoline,4TMS,#47" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pyridinoline GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pyridinoline 10V, Positive-QTOF	splash10-004i-0001900000-1071214d48bc921584a2	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pyridinoline 20V, Positive-QTOF	splash10-00ba-0009400000-b7f8b4454b46b9b588a6	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pyridinoline 40V, Positive-QTOF	splash10-054t-1429200000-e0435f18dbbf7dca10c3	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pyridinoline 10V, Negative-QTOF	splash10-004i-0000900000-843d31dfa041aff3e01e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pyridinoline 20V, Negative-QTOF	splash10-004i-1100900000-c38c200cd8e6b732fd69	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pyridinoline 40V, Negative-QTOF	splash10-00di-7921000000-79aa7de87908b35ae0f5	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pyridinoline 10V, Positive-QTOF	splash10-01si-0049600000-efbf48db5b13ec3bbc8c	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pyridinoline 20V, Positive-QTOF	splash10-00m1-0079100000-8c7b3a51061cf35c058d	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pyridinoline 40V, Positive-QTOF	splash10-0bt9-5191000000-2ca942a932b82f93dd7a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pyridinoline 10V, Negative-QTOF	splash10-0arr-1046900000-0dcaf90573f090897648	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pyridinoline 20V, Negative-QTOF	splash10-0feb-6795000000-c3f12a8a1fc8ebb5c46e	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pyridinoline 40V, Negative-QTOF	splash10-0006-7593000000-56e695190149fe7749c2	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Urine

Tissue Locations

Bladder
Cartilage
Epidermis
Fibroblasts
Prostate

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Urine	Detected and Quantified	0.033 (0.0045-0.062) umol/mmol creatinine	Adult (>18 years old)	Female	Normal	9316552	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.0016 (0.0010-0.0039) uM	Adult (>18 years old)	Both	Rheumatoid arthritis	15338487	details
Urine	Detected and Quantified	0.075 +/- 0.012 umol/mmol creatinine	Adult (>18 years old)	Female	Congestive heart failure	9316552	details

Associated Disorders and Diseases

Disease References

Rheumatoid arthritis
Jensen T, Klarlund M, Hansen M, Jensen KE, Skjodt H, Hyldstrup L: Connective tissue metabolism in patients with unclassified polyarthritis and early rheumatoid arthritis. Relationship to disease activity, bone mineral density, and radiographic outcome. J Rheumatol. 2004 Sep;31(9):1698-708. [PubMed:15338487 ]
Congestive heart failure
Shane E, Mancini D, Aaronson K, Silverberg SJ, Seibel MJ, Addesso V, McMahon DJ: Bone mass, vitamin D deficiency, and hyperparathyroidism in congestive heart failure. Am J Med. 1997 Sep;103(3):197-207. [PubMed:9316552 ]

Associated OMIM IDs

180300 (Rheumatoid arthritis)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB010805

KNApSAcK ID

Not Available

Chemspider ID

94798

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Pyridinoline

METLIN ID

5814

PubChem Compound

105068

PDB ID

Not Available

ChEBI ID

88539

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

MDB00000266

Good Scents ID

Not Available

References

Synthesis Reference

Allevi, Pietro; Cribiu, Riccardo; Giannini, Elios; Anastasia, Mario. Practical syntheses of pyridinolines, important amino acidic biomarkers of collagen health. Journal of Organic Chemistry (2007), 72(9), 3478-3483.

Material Safety Data Sheet (MSDS)

Not Available

General References

Fujimoto D, Moriguchi T: Pyridinoline, a non-reducible crosslink of collagen. Quantitative determination, distribution, and isolation of a crosslinked peptide. J Biochem. 1978 Mar;83(3):863-7. [PubMed:641035 ]
Ricard-Blum S, Esterre P, Grimaud JA: Collagen cross-linking by pyridinoline occurs in non-reversible skin fibrosis. Cell Mol Biol (Noisy-le-grand). 1993 Nov;39(7):723-7. [PubMed:8268758 ]
Ueda M, Inaba M, Okuno S, Maeno Y, Ishimura E, Yamakawa T, Nishizawa Y: Serum BAP as the clinically useful marker for predicting BMD reduction in diabetic hemodialysis patients with low PTH. Life Sci. 2005 Jul 22;77(10):1130-9. [PubMed:15978265 ]
Okamura T, Akita H, Tatsura H, Kawai N, Nagata D, Azemoto M, Iwase Y, Kohri K: The efficacy of a serum carboxyterminal pyridinoline cross-linked telopeptide of type I collagen as a quantitative screening marker for bone metastases in patients with urological malignancies. Cancer Detect Prev. 2003;27(1):14-8. [PubMed:12600412 ]
Bank RA, Verzijl N, Lafeber FP, Tekoppele JM: Putative role of lysyl hydroxylation and pyridinoline cross-linking during adolescence in the occurrence of osteoarthritis at old age. Osteoarthritis Cartilage. 2002 Feb;10(2):127-34. [PubMed:11869072 ]
van der Slot AJ, van Dura EA, de Wit EC, De Groot J, Huizinga TW, Bank RA, Zuurmond AM: Elevated formation of pyridinoline cross-links by profibrotic cytokines is associated with enhanced lysyl hydroxylase 2b levels. Biochim Biophys Acta. 2005 Jun 30;1741(1-2):95-102. Epub 2004 Oct 5. [PubMed:15955452 ]
Istok R, Bely M, Stancikova M, Rovensky J: Evidence for increased pyridinoline concentration in fibrotic tissues in diffuse systemic sclerosis. Clin Exp Dermatol. 2001 Sep;26(6):545-7. [PubMed:11678886 ]
Teichmann J, Lange U, Stracke H, Federlin K, Bretzel RG: Bone metabolism and bone mineral density of systemic lupus erythematosus at the time of diagnosis. Rheumatol Int. 1999;18(4):137-40. [PubMed:10220833 ]
Vesper HW, Audain C, Woolfitt A, Ospina M, Barr J, Robins SP, Myers GL: High-performance liquid chromatography method to analyze free and total urinary pyridinoline and deoxypyridinoline. Anal Biochem. 2003 Jul 15;318(2):204-11. [PubMed:12814623 ]
Wan KC, Wu HT, Chan HP, Hung LK: Effects of antioxidants on pyridinoline cross-link formation in culture supernatants of fibroblasts from normal skin and hypertrophic scars. Clin Exp Dermatol. 2002 Sep;27(6):507-12. [PubMed:12372096 ]
Ricard-Blum S, Bresson-Hadni S, Grenard P, Humbert P, Carbillet JP, Risteli L, Vuitton DA: The level of the collagen cross-link pyridinoline reflects the improvement of cutaneous lesions in one case of skin alveolar echinococcosis. Parasitol Res. 1998 Sep;84(9):715-9. [PubMed:9766899 ]
Wan KC, Chow TC: Age-related changes in the concentration of pyridinoline cross-links in human skin. Ann Clin Biochem. 1999 Sep;36 ( Pt 5):666-8. [PubMed:10505220 ]
Muller A, Stein G, Lehmann G, Hein G: Investigations of bone turnover in renal osteopathy. Eur J Med Res. 1999 Feb 25;4(2):78-84. [PubMed:10066644 ]
Miyamoto KK, McSherry SA, Robins SP, Besterman JM, Mohler JL: Collagen cross-link metabolites in urine as markers of bone metastases in prostatic carcinoma. J Urol. 1994 Apr;151(4):909-13. [PubMed:7510346 ]
Takahashi M, Kushida K, Ohishi T, Kawana K, Hoshino H, Uchiyama A, Inoue T: Quantitative analysis of crosslinks pyridinoline and pentosidine in articular cartilage of patients with bone and joint disorders. Arthritis Rheum. 1994 May;37(5):724-8. [PubMed:8185700 ]
Tilson MD, Davis G: Deficiencies of copper and a compound with ion-exchange characteristics of pyridinoline in skin from patients with abdominal aortic aneurysms. Surgery. 1983 Aug;94(2):134-41. [PubMed:6879435 ]
Fernandes RJ, Eyre DR: The elastin-like protein matrix of lamprey branchial cartilage is cross-linked by lysyl pyridinoline. Biochem Biophys Res Commun. 1999 Aug 11;261(3):635-40. [PubMed:10441478 ]

Showing metabocard for Pyridinoline (HMDB0000851)

MOL for HMDB0000851 (Pyridinoline)

3D MOL for HMDB0000851 (Pyridinoline)

3D SDF for HMDB0000851 (Pyridinoline)

3D-SDF for HMDB0000851 (Pyridinoline)

PDB for HMDB0000851 (Pyridinoline)

3D PDB for HMDB0000851 (Pyridinoline)

SMILES for HMDB0000851 (Pyridinoline)

INCHI for HMDB0000851 (Pyridinoline)

Structure for HMDB0000851 (Pyridinoline)

3D Structure for HMDB0000851 (Pyridinoline)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra