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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:06:14 UTC

Update Date

2022-03-07 02:55:32 UTC

HMDB ID

HMDB0037845

Secondary Accession Numbers

HMDB37845

Metabolite Identification

Common Name

N-(1-Deoxy-1-fructosyl)tyrosine

Description

N-(1-Deoxy-1-fructosyl)tyrosine belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review very few articles have been published on N-(1-Deoxy-1-fructosyl)tyrosine.

Structure

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

HMDB0037845
     RDKit          3D
N-(1-Deoxy-1-fructosyl)tyrosine
 45 46  0  0  0  0  0  0  0  0999 V2000
    0.4434   -1.1053   -2.0866 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3982   -0.4215   -1.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6709   -0.7456   -2.0786 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    0.6289   -0.5999 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0210    0.3404    0.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4568    0.2348    0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0922   -0.9679    0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4654   -1.0477    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2309    0.0998    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6050    0.0809   -0.1564 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6225    1.3254    0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2623    1.3692    0.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1599    0.8583   -0.2391 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8289   -0.2198    0.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2513    0.1697    0.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2699    1.2702    1.5666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0198   -0.8936    1.1808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3419   -0.5559    1.0266 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1751   -1.7479    0.5559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5109   -1.3864    0.4062 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4192    0.5789    0.0297 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5985    1.7533    0.7299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0153    0.5390   -0.5409 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8734   -0.4906   -1.4356 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9839   -0.2905   -2.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5619    1.5866   -1.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8003    1.0746    1.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6469   -0.6373    1.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495   -1.8977    0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9523   -1.9908   -0.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1327   -0.7538   -0.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2330    2.2253    0.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7922    2.3237    0.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2593    1.7653    0.2584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3470   -0.4409    1.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8230   -1.1110   -0.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2712    2.0994    1.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8231   -0.2312    1.9785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1500   -2.4968    1.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8316   -2.1704   -0.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9221   -1.8332   -0.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1883    0.4077   -0.7458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6931    2.5498    0.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6951    1.5211   -0.9313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6681   -1.3666   -1.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
  4 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 12  6  1  0
 23 15  1  0
  3 25  1  0
  4 26  1  6
  5 27  1  0
  5 28  1  0
  7 29  1  0
  8 30  1  0
 10 31  1  0
 11 32  1  0
 12 33  1  0
 13 34  1  0
 14 35  1  0
 14 36  1  0
 16 37  1  0
 18 38  1  1
 19 39  1  0
 19 40  1  0
 20 41  1  0
 21 42  1  6
 22 43  1  0
 23 44  1  6
 24 45  1  0
M  END

  Mrv0541 01231308462D          

 24 25  0  0  0  0            999 V2000
   -4.7995   -0.1717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4669   -0.6567    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2120   -1.4412    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3870   -1.4412    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1321   -0.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3475   -0.4017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9021   -2.1087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6969   -2.1087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2516   -0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8647   -0.9538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3229   -0.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3229   -1.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0374   -1.4390    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0374   -2.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7518   -2.6765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3229   -2.6765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7518   -1.0265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5487   -1.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3229    1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0374    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0374    0.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6085    0.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6085    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3229    2.2736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  1  0  0  0
  3  8  1  6  0  0  0
  2  9  1  1  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 13 17  1  1  0  0  0
  5 18  1  0  0  0  0
 18 17  1  0  0  0  0
 21 11  2  0  0  0  0
 11 22  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037845

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(O)=O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C15H21NO8/c17-6-11-12(19)13(20)15(23,24-11)7-16-10(14(21)22)5-8-1-3-9(18)4-2-8/h1-4,10-13,16-20,23H,5-7H2,(H,21,22)/t10-,11+,12+,13-,15?/m0/s1

> <INCHI_KEY>
QLJKHQIODQKMNW-VJDSNFAGSA-N

> <FORMULA>
C15H21NO8

> <MOLECULAR_WEIGHT>
343.3291

> <EXACT_MASS>
343.126716653

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
33.30002260460047

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-3-(4-hydroxyphenyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid

> <ALOGPS_LOGP>
-1.15

> <JCHEM_LOGP>
-3.5031698540110314

> <ALOGPS_LOGS>
-1.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.538479764548292

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.3885409708964183

> <JCHEM_PKA_STRONGEST_BASIC>
8.59981138200599

> <JCHEM_POLAR_SURFACE_AREA>
159.71

> <JCHEM_REFRACTIVITY>
79.97130000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.66e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-3-(4-hydroxyphenyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037845
     RDKit          3D
N-(1-Deoxy-1-fructosyl)tyrosine
 45 46  0  0  0  0  0  0  0  0999 V2000
    0.4434   -1.1053   -2.0866 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3982   -0.4215   -1.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6709   -0.7456   -2.0786 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    0.6289   -0.5999 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0210    0.3404    0.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4568    0.2348    0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0922   -0.9679    0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4654   -1.0477    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2309    0.0998    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6050    0.0809   -0.1564 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6225    1.3254    0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2623    1.3692    0.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1599    0.8583   -0.2391 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8289   -0.2198    0.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2513    0.1697    0.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2699    1.2702    1.5666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0198   -0.8936    1.1808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3419   -0.5559    1.0266 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1751   -1.7479    0.5559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5109   -1.3864    0.4062 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4192    0.5789    0.0297 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5985    1.7533    0.7299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0153    0.5390   -0.5409 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8734   -0.4906   -1.4356 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9839   -0.2905   -2.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5619    1.5866   -1.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8003    1.0746    1.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6469   -0.6373    1.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495   -1.8977    0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9523   -1.9908   -0.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1327   -0.7538   -0.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2330    2.2253    0.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7922    2.3237    0.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2593    1.7653    0.2584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3470   -0.4409    1.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8230   -1.1110   -0.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2712    2.0994    1.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8231   -0.2312    1.9785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1500   -2.4968    1.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8316   -2.1704   -0.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9221   -1.8332   -0.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1883    0.4077   -0.7458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6931    2.5498    0.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6951    1.5211   -0.9313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6681   -1.3666   -1.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
  4 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 12  6  1  0
 23 15  1  0
  3 25  1  0
  4 26  1  6
  5 27  1  0
  5 28  1  0
  7 29  1  0
  8 30  1  0
 10 31  1  0
 11 32  1  0
 12 33  1  0
 13 34  1  0
 14 35  1  0
 14 36  1  0
 16 37  1  0
 18 38  1  1
 19 39  1  0
 19 40  1  0
 20 41  1  0
 21 42  1  6
 22 43  1  0
 23 44  1  6
 24 45  1  0
M  END

HEADER    PROTEIN                                 23-JAN-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-JAN-13         0                                  
HETATM    1  O   UNK     0      -8.959  -0.321   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0     -10.205  -1.226   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -9.729  -2.690   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -8.189  -2.690   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -7.713  -1.226   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -6.249  -0.750   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      -7.284  -3.936   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0     -10.634  -3.936   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0     -11.670  -0.750   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0     -12.814  -1.780   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -2.469  -0.376   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.469  -1.916   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -3.803  -2.686   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.803  -4.226   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -5.137  -4.996   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -2.469  -4.996   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0      -5.137  -1.916   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      -6.624  -2.315   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.469   2.704   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.803   1.934   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -3.803   0.394   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.136   0.394   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.136   1.934   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -2.469   4.244   0.000  0.00  0.00           O+0
CONECT    1    2    5                                                       
CONECT    2    1    3    9                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5    7                                                  
CONECT    5    4    1    6   18                                             
CONECT    6    5                                                            
CONECT    7    4                                                            
CONECT    8    3                                                            
CONECT    9    2   10                                                       
CONECT   10    9                                                            
CONECT   11   12   21   22                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   17                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   13   18                                                       
CONECT   18    5   17                                                       
CONECT   19   20   23   24                                                  
CONECT   20   19   21                                                       
CONECT   21   11   20                                                       
CONECT   22   11   23                                                       
CONECT   23   22   19                                                       
CONECT   24   19                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

COMPND    HMDB0037845
HETATM    1  O1  UNL     1       0.443  -1.105  -2.087  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.398  -0.421  -1.594  1.00  0.00           C  
HETATM    3  O2  UNL     1       2.671  -0.746  -2.079  1.00  0.00           O  
HETATM    4  C2  UNL     1       1.215   0.629  -0.600  1.00  0.00           C  
HETATM    5  C3  UNL     1       2.021   0.340   0.643  1.00  0.00           C  
HETATM    6  C4  UNL     1       3.457   0.235   0.439  1.00  0.00           C  
HETATM    7  C5  UNL     1       4.092  -0.968   0.228  1.00  0.00           C  
HETATM    8  C6  UNL     1       5.465  -1.048   0.027  1.00  0.00           C  
HETATM    9  C7  UNL     1       6.231   0.100   0.038  1.00  0.00           C  
HETATM   10  O3  UNL     1       7.605   0.081  -0.156  1.00  0.00           O  
HETATM   11  C8  UNL     1       5.622   1.325   0.248  1.00  0.00           C  
HETATM   12  C9  UNL     1       4.262   1.369   0.442  1.00  0.00           C  
HETATM   13  N1  UNL     1      -0.160   0.858  -0.239  1.00  0.00           N  
HETATM   14  C10 UNL     1      -0.829  -0.220   0.407  1.00  0.00           C  
HETATM   15  C11 UNL     1      -2.251   0.170   0.727  1.00  0.00           C  
HETATM   16  O4  UNL     1      -2.270   1.270   1.567  1.00  0.00           O  
HETATM   17  O5  UNL     1      -3.020  -0.894   1.181  1.00  0.00           O  
HETATM   18  C12 UNL     1      -4.342  -0.556   1.027  1.00  0.00           C  
HETATM   19  C13 UNL     1      -5.175  -1.748   0.556  1.00  0.00           C  
HETATM   20  O6  UNL     1      -6.511  -1.386   0.406  1.00  0.00           O  
HETATM   21  C14 UNL     1      -4.419   0.579   0.030  1.00  0.00           C  
HETATM   22  O7  UNL     1      -4.598   1.753   0.730  1.00  0.00           O  
HETATM   23  C15 UNL     1      -3.015   0.539  -0.541  1.00  0.00           C  
HETATM   24  O8  UNL     1      -2.873  -0.491  -1.436  1.00  0.00           O  
HETATM   25  H1  UNL     1       2.984  -0.291  -2.918  1.00  0.00           H  
HETATM   26  H2  UNL     1       1.562   1.587  -1.073  1.00  0.00           H  
HETATM   27  H3  UNL     1       1.800   1.075   1.453  1.00  0.00           H  
HETATM   28  H4  UNL     1       1.647  -0.637   1.028  1.00  0.00           H  
HETATM   29  H5  UNL     1       3.549  -1.898   0.216  1.00  0.00           H  
HETATM   30  H6  UNL     1       5.952  -1.991  -0.137  1.00  0.00           H  
HETATM   31  H7  UNL     1       8.133  -0.754  -0.315  1.00  0.00           H  
HETATM   32  H8  UNL     1       6.233   2.225   0.255  1.00  0.00           H  
HETATM   33  H9  UNL     1       3.792   2.324   0.605  1.00  0.00           H  
HETATM   34  H10 UNL     1      -0.259   1.765   0.258  1.00  0.00           H  
HETATM   35  H11 UNL     1      -0.347  -0.441   1.385  1.00  0.00           H  
HETATM   36  H12 UNL     1      -0.823  -1.111  -0.212  1.00  0.00           H  
HETATM   37  H13 UNL     1      -2.271   2.099   1.020  1.00  0.00           H  
HETATM   38  H14 UNL     1      -4.823  -0.231   1.978  1.00  0.00           H  
HETATM   39  H15 UNL     1      -5.150  -2.497   1.386  1.00  0.00           H  
HETATM   40  H16 UNL     1      -4.832  -2.170  -0.388  1.00  0.00           H  
HETATM   41  H17 UNL     1      -6.922  -1.833  -0.396  1.00  0.00           H  
HETATM   42  H18 UNL     1      -5.188   0.408  -0.746  1.00  0.00           H  
HETATM   43  H19 UNL     1      -4.693   2.550   0.164  1.00  0.00           H  
HETATM   44  H20 UNL     1      -2.695   1.521  -0.931  1.00  0.00           H  
HETATM   45  H21 UNL     1      -2.668  -1.367  -1.025  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   25
CONECT    4    5   13   26
CONECT    5    6   27   28
CONECT    6    7    7   12
CONECT    7    8   29
CONECT    8    9    9   30
CONECT    9   10   11
CONECT   10   31
CONECT   11   12   12   32
CONECT   12   33
CONECT   13   14   34
CONECT   14   15   35   36
CONECT   15   16   17   23
CONECT   16   37
CONECT   17   18
CONECT   18   19   21   38
CONECT   19   20   39   40
CONECT   20   41
CONECT   21   22   23   42
CONECT   22   43
CONECT   23   24   44
CONECT   24   45
END

HMDB0037845
     RDKit          3D
N-(1-Deoxy-1-fructosyl)tyrosine
 45 46  0  0  0  0  0  0  0  0999 V2000
    0.4434   -1.1053   -2.0866 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3982   -0.4215   -1.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6709   -0.7456   -2.0786 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    0.6289   -0.5999 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0210    0.3404    0.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4568    0.2348    0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0922   -0.9679    0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4654   -1.0477    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2309    0.0998    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6050    0.0809   -0.1564 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6225    1.3254    0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2623    1.3692    0.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1599    0.8583   -0.2391 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8289   -0.2198    0.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2513    0.1697    0.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2699    1.2702    1.5666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0198   -0.8936    1.1808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3419   -0.5559    1.0266 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1751   -1.7479    0.5559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5109   -1.3864    0.4062 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4192    0.5789    0.0297 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5985    1.7533    0.7299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0153    0.5390   -0.5409 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8734   -0.4906   -1.4356 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9839   -0.2905   -2.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5619    1.5866   -1.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8003    1.0746    1.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6469   -0.6373    1.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495   -1.8977    0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9523   -1.9908   -0.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1327   -0.7538   -0.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2330    2.2253    0.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7922    2.3237    0.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2593    1.7653    0.2584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3470   -0.4409    1.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8230   -1.1110   -0.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2712    2.0994    1.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8231   -0.2312    1.9785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1500   -2.4968    1.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8316   -2.1704   -0.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9221   -1.8332   -0.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1883    0.4077   -0.7458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6931    2.5498    0.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6951    1.5211   -0.9313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6681   -1.3666   -1.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
  4 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 12  6  1  0
 23 15  1  0
  3 25  1  0
  4 26  1  6
  5 27  1  0
  5 28  1  0
  7 29  1  0
  8 30  1  0
 10 31  1  0
 11 32  1  0
 12 33  1  0
 13 34  1  0
 14 35  1  0
 14 36  1  0
 16 37  1  0
 18 38  1  1
 19 39  1  0
 19 40  1  0
 20 41  1  0
 21 42  1  6
 22 43  1  0
 23 44  1  6
 24 45  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
1-[[1-Carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-deoxyfructose, 9ci	HMDB
(2S)-3-(4-Hydroxyphenyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoate	Generator

Chemical Formula

C₁₅H₂₁NO₈

Average Molecular Weight

343.3291

Monoisotopic Molecular Weight

343.126716653

IUPAC Name

(2S)-3-(4-hydroxyphenyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid

Traditional Name

(2S)-3-(4-hydroxyphenyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid

CAS Registry Number

34393-22-1

SMILES

OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(O)=O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C15H21NO8/c17-6-11-12(19)13(20)15(23,24-11)7-16-10(14(21)22)5-8-1-3-9(18)4-2-8/h1-4,10-13,16-20,23H,5-7H2,(H,21,22)/t10-,11+,12+,13-,15?/m0/s1

InChI Key

QLJKHQIODQKMNW-VJDSNFAGSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Tyrosine and derivatives

Alternative Parents

Substituents

Tyrosine or derivatives
Phenylalanine or derivatives
3-phenylpropanoic-acid
Glycosyl compound
C-glycosyl compound
Alpha-amino acid
Pentose monosaccharide
L-alpha-amino acid
Amphetamine or derivatives
Aralkylamine
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monosaccharide
Benzenoid
Monocyclic benzene moiety
Tetrahydrofuran
Secondary alcohol
Hemiacetal
Amino acid
Carboxylic acid
Secondary aliphatic amine
Oxacycle
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Secondary amine
Polyol
Amine
Hydrocarbon derivative
Organic nitrogen compound
Alcohol
Carbonyl group
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Primary alcohol
Organic oxide
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Exogenous (HMDB: HMDB0037845)

Food

Food (HMDB: HMDB0037845)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0037845)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	115 °C	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	26.6 g/L	ALOGPS
logP	-1.2	ALOGPS
logP	-3.5	ChemAxon
logS	-1.1	ALOGPS
pKa (Strongest Acidic)	1.39	ChemAxon
pKa (Strongest Basic)	8.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	159.71 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	79.97 m³·mol⁻¹	ChemAxon
Polarizability	33.3 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	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
DarkChem	[M+H]+	178.507	31661259
DarkChem	[M-H]-	174.208	31661259
DeepCCS	[M+H]+	172.558	30932474
DeepCCS	[M-H]-	170.163	30932474
DeepCCS	[M-2H]-	204.14	30932474
DeepCCS	[M+Na]+	179.54	30932474
AllCCS	[M+H]+	180.0	32859911
AllCCS	[M+H-H2O]+	177.1	32859911
AllCCS	[M+NH4]+	182.7	32859911
AllCCS	[M+Na]+	183.4	32859911
AllCCS	[M-H]-	177.2	32859911
AllCCS	[M+Na-2H]-	177.3	32859911
AllCCS	[M+HCOO]-	177.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
N-(1-Deoxy-1-fructosyl)tyrosine	OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(O)=O)[C@@H](O)[C@@H]1O	4566.3	Standard polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine	OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(O)=O)[C@@H](O)[C@@H]1O	2766.9	Standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine	OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(O)=O)[C@@H](O)[C@@H]1O	3150.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
N-(1-Deoxy-1-fructosyl)tyrosine,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O)[C@@H](O)[C@@H]1O	3099.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,1TMS,isomer #2	C[Si](C)(C)OC1(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O	3109.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,1TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C[C@H](NCC2(O)O[C@H](CO)[C@@H](O)[C@@H]2O)C(=O)O)C=C1	3118.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,1TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O	2999.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,1TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN[C@@H](CC1=CC=C(O)C=C1)C(=O)O	3104.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,1TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O)O[C@@H]1CO	3097.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,1TMS,isomer #7	C[Si](C)(C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H](CC1=CC=C(O)C=C1)C(=O)O	3110.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3051.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN[C@@H](CC1=CC=C(O)C=C1)C(=O)O)O[Si](C)(C)C	3036.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TMS,isomer #11	C[Si](C)(C)OC1(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3072.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C[C@H](NCC2(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=O)O)C=C1	3066.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TMS,isomer #13	C[Si](C)(C)OC1=CC=C(C[C@H](NCC2(O)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=O)O)C=C1	3071.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O	3011.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TMS,isomer #15	C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(CC2(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[Si](C)(C)C)C=C1	3102.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2954.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2960.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	3013.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(O)CN[C@@H](CC1=CC=C(O)C=C1)C(=O)O	3020.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O)[C@@H](O)[C@@H]1O	3062.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C	3071.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C)O[C@@H]1CO	3051.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2972.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3053.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TMS,isomer #5	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3030.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TMS,isomer #6	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C)[C@@H](O)[C@@H]1O	3057.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C[C@H](NCC2(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)C(=O)O)C=C1	3063.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2967.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)C(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O)(O[Si](C)(C)C)O[C@@H]1CO	3036.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3014.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #10	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2927.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #11	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2889.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #12	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@@H]1O	2973.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #13	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2971.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #14	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3023.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #15	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2992.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C[C@H](NCC2(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=O)O)C=C1	3019.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #17	C[Si](C)(C)OC1=CC=C(C[C@H](NCC2(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=O)O)C=C1	3012.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2988.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #19	C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(CC2(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[Si](C)(C)C)C=C1	3045.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2924.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #20	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2899.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2914.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2978.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #23	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(CN[C@@H](CC1=CC=C(O)C=C1)C(=O)O)O[Si](C)(C)C	2962.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #24	C[Si](C)(C)O[C@H]1[C@H](O)C(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)O[C@@H]1CO	3021.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #25	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C)O[Si](C)(C)C	3029.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #26	C[Si](C)(C)OC1=CC=C(C[C@H](NCC2(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=O)O)C=C1	3003.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2994.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #28	C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(CC2(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)[Si](C)(C)C)C=C1	3048.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #29	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2999.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2989.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #30	C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(CC2(O)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)[Si](C)(C)C)C=C1	3055.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #31	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	3010.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #32	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2880.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #33	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2956.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #34	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2976.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #35	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(O)CN([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C	2996.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #4	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2985.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3028.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #6	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2978.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #7	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3029.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #8	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3007.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TMS,isomer #9	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O)[Si](C)(C)C)[C@@H](O)[C@@H]1O	3052.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2949.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #10	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2997.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #11	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2977.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #12	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2950.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #13	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@@H]1O	2997.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #14	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2990.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #15	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3023.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #16	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O)[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3005.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #17	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2868.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #18	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2946.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #19	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2919.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #2	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2984.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #20	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2967.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #21	C[Si](C)(C)OC1=CC=C(C[C@H](NCC2(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=O)O)C=C1	2983.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2957.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #23	C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(CC2(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)[Si](C)(C)C)C=C1	3015.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #24	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2956.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #25	C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(CC2(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)[Si](C)(C)C)C=C1	3018.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	3009.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2862.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2941.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #29	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2951.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2981.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #30	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(CN([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2997.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #31	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2965.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #32	C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(CC2(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[Si](C)(C)C)C=C1	3003.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #33	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	3000.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #34	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	3012.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #35	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2917.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #4	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3027.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #5	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2881.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #6	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2860.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #7	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2969.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #8	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2955.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TMS,isomer #9	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3009.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2947.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,5TMS,isomer #10	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3016.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,5TMS,isomer #11	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2969.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,5TMS,isomer #12	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3015.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,5TMS,isomer #13	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2998.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,5TMS,isomer #14	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3006.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,5TMS,isomer #15	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2929.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,5TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2945.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,5TMS,isomer #17	C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(CC2(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[Si](C)(C)C)C=C1	3024.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,5TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	3008.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,5TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	3012.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,5TMS,isomer #2	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2950.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,5TMS,isomer #20	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2957.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,5TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2996.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3015.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,5TMS,isomer #4	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2985.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,5TMS,isomer #5	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3027.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,5TMS,isomer #6	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3018.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,5TMS,isomer #7	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2866.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,5TMS,isomer #8	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2973.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,5TMS,isomer #9	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2954.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2954.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,6TMS,isomer #2	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3022.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,6TMS,isomer #3	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3019.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,6TMS,isomer #4	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3048.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,6TMS,isomer #5	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2980.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,6TMS,isomer #6	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3012.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,6TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	3030.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,7TMS,isomer #1	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3060.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,7TMS,isomer #1	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CC2=CC=C(O[Si](C)(C)C)C=C2)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2854.0	Standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O)[C@@H](O)[C@@H]1O	3341.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O	3351.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](NCC2(O)O[C@H](CO)[C@@H](O)[C@@H]2O)C(=O)O)C=C1	3375.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O	3254.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN[C@@H](CC1=CC=C(O)C=C1)C(=O)O	3339.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O)O[C@@H]1CO	3342.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H](CC1=CC=C(O)C=C1)C(=O)O	3346.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3495.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN[C@@H](CC1=CC=C(O)C=C1)C(=O)O)O[Si](C)(C)C(C)(C)C	3514.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3545.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](NCC2(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)C(=O)O)C=C1	3573.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](NCC2(O)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1	3579.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O	3528.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(CC2(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[Si](C)(C)C(C)(C)C)C=C1	3606.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3450.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3455.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3498.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)OC1(O)CN[C@@H](CC1=CC=C(O)C=C1)C(=O)O	3505.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(=O)O)[C@@H](O)[C@@H]1O	3561.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C	3559.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3551.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3436.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3514.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3475.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3542.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](NCC2(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)C(=O)O)C=C1	3575.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3444.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O)(O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3515.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3750.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3598.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3564.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3659.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3623.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3719.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3677.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](NCC2(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)C(=O)O)C=C1	3767.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](NCC2(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1	3767.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3746.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(CC2(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[Si](C)(C)C(C)(C)C)C=C1	3806.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3586.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3603.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3602.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3676.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)OC1(CN[C@@H](CC1=CC=C(O)C=C1)C(=O)O)O[Si](C)(C)C(C)(C)C	3622.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3713.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3720.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](NCC2(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1	3741.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3741.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(CC2(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[Si](C)(C)C(C)(C)C)C=C1	3795.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3757.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3639.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(CC2(O)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3814.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3768.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3584.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3673.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3686.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)OC1(O)CN([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C	3700.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3633.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3710.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3717.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3766.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(=O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3718.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3780.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3903.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3870.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3933.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3899.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3949.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3900.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3998.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3955.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3732.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3842.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3804.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3917.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3842.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](NCC2(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1	3892.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3910.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(CC2(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[Si](C)(C)C(C)(C)C)C=C1	3998.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3902.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(CC2(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3996.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3978.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3703.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3843.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3843.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3904.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)OC1(CN([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3868.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3908.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(CC2(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3970.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3968.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3988.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3821.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN([C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(=O)O)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3994.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3728.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3724.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3837.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CC2=CC=C(O)C=C2)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3768.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tyrosine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN([C@@H](CC2=CC=C(O)C=C2)C(=O)O)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3880.4	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 - N-(1-Deoxy-1-fructosyl)tyrosine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0kmj-9532000000-aff5e8fcdab6d45d0408	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-(1-Deoxy-1-fructosyl)tyrosine GC-MS (4 TMS) - 70eV, Positive	splash10-01b9-3942114000-e672f34825ea5fe24661	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-(1-Deoxy-1-fructosyl)tyrosine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-(1-Deoxy-1-fructosyl)tyrosine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	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 - N-(1-Deoxy-1-fructosyl)tyrosine 10V, Positive-QTOF	splash10-0006-2928000000-2af5201044a3fd64702b	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tyrosine 20V, Positive-QTOF	splash10-000y-2943000000-f5a2aae81fa44b12c747	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tyrosine 40V, Positive-QTOF	splash10-0005-4900000000-035b416ac2b7f888ac29	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tyrosine 10V, Negative-QTOF	splash10-0006-4249000000-becf72046476e36aa18a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tyrosine 20V, Negative-QTOF	splash10-007p-3987000000-01e07b81b1f8ceaa0a2b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tyrosine 40V, Negative-QTOF	splash10-0006-9100000000-2737f61bcf8730c6169f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tyrosine 10V, Negative-QTOF	splash10-0006-0149000000-78f5b96d9ebe2a389cac	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tyrosine 20V, Negative-QTOF	splash10-001i-2932000000-98606d1601dbaf8aa373	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tyrosine 40V, Negative-QTOF	splash10-060r-8971000000-49b85ae0ce40edaf776a	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tyrosine 10V, Positive-QTOF	splash10-002f-0219000000-3837073484e16a1d4a26	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tyrosine 20V, Positive-QTOF	splash10-003v-0895000000-09109d8fb73e06edbac4	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tyrosine 40V, Positive-QTOF	splash10-0k95-3910000000-232e5a5c6d8f2933e7c1	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB016996

KNApSAcK ID

Not Available

Chemspider ID

35014482

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131752248

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for N-(1-Deoxy-1-fructosyl)tyrosine (HMDB0037845)

MOL for HMDB0037845 (N-(1-Deoxy-1-fructosyl)tyrosine)

3D MOL for HMDB0037845 (N-(1-Deoxy-1-fructosyl)tyrosine)

3D SDF for HMDB0037845 (N-(1-Deoxy-1-fructosyl)tyrosine)

3D-SDF for HMDB0037845 (N-(1-Deoxy-1-fructosyl)tyrosine)

PDB for HMDB0037845 (N-(1-Deoxy-1-fructosyl)tyrosine)

3D PDB for HMDB0037845 (N-(1-Deoxy-1-fructosyl)tyrosine)

SMILES for HMDB0037845 (N-(1-Deoxy-1-fructosyl)tyrosine)

INCHI for HMDB0037845 (N-(1-Deoxy-1-fructosyl)tyrosine)

Structure for HMDB0037845 (N-(1-Deoxy-1-fructosyl)tyrosine)

3D Structure for HMDB0037845 (N-(1-Deoxy-1-fructosyl)tyrosine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra