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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 03:36:35 UTC

Update Date

2021-09-26 22:59:46 UTC

HMDB ID

HMDB0249120

Secondary Accession Numbers

None

Metabolite Identification

Common Name

beta-D-glucosaminyl-(1->4)-beta-D-glucosamine

Description

5-amino-6-{[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-2-(hydroxymethyl)oxane-3,4-diol belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars. Based on a literature review very few articles have been published on 5-amino-6-{[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-2-(hydroxymethyl)oxane-3,4-diol. This compound has been identified in human blood as reported by (PMID: 31557052 ). Beta-d-glucosaminyl-(1->4)-beta-d-glucosamine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically beta-D-glucosaminyl-(1->4)-beta-D-glucosamine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

HMDB0249120
     RDKit          3D
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine
 47 48  0  0  0  0  0  0  0  0999 V2000
   -1.7841   -0.9224    1.5019 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.5007    1.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8642    0.7711    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0833   -0.2140   -0.0968 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3854    0.1881    0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2377    0.0852   -1.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    1.2100   -2.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7344    1.1827   -3.2199 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5652    0.3465   -0.7686 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1283   -0.7233   -0.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1230   -0.1963    0.7408 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1317   -1.4255    0.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8262   -1.8749    1.9935 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0827   -0.4112    1.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2832   -1.0485    2.1740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5920    1.0353   -1.1020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7971    0.4309   -1.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6745   -0.9967   -1.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9469   -1.5512   -1.9335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7241    0.5113   -0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8161    1.3797   -0.3423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0822    1.0527    1.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8079    0.5805    2.2566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4512   -1.1320    2.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6915   -1.3413    1.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2047    0.9549    2.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2971    1.7216    0.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3272    1.3007    0.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2273   -0.8899   -1.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9968    2.2021   -1.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8079    1.1493   -2.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5708    1.6095   -2.9544 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5746   -1.4631   -0.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9358    0.7629    0.9649 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6720   -2.3023    0.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5927   -1.2179    2.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1698   -1.8987    2.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6799    0.3559    1.8455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8539   -1.8689    1.8162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3096    0.9791   -2.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2689   -0.9342   -2.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0742   -1.6507   -1.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4307   -1.2580   -2.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1525   -0.4958    0.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4119    2.2728   -0.4507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0945    2.1752    1.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6841    1.0579    2.2915 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
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  3 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  2  1  0
 14  5  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  3 27  1  0
  5 28  1  0
  6 29  1  0
  7 30  1  0
  7 31  1  0
  8 32  1  0
 10 33  1  0
 11 34  1  0
 12 35  1  0
 13 36  1  0
 13 37  1  0
 14 38  1  0
 15 39  1  0
 17 40  1  0
 18 41  1  0
 18 42  1  0
 19 43  1  0
 20 44  1  0
 21 45  1  0
 22 46  1  0
 23 47  1  0
M  END

  Mrv1533004241500052D          

 23 24  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    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
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  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
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 11 20  1  0  0  0  0
 20 21  1  0  0  0  0
  9 22  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0249120

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C12H24N2O9/c13-5-9(19)10(4(2-16)21-11(5)20)23-12-6(14)8(18)7(17)3(1-15)22-12/h3-12,15-20H,1-2,13-14H2

> <INCHI_KEY>
QLTSDROPCWIKKY-UHFFFAOYSA-N

> <FORMULA>
C12H24N2O9

> <MOLECULAR_WEIGHT>
340.329

> <EXACT_MASS>
340.148180361

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
32.748220577441295

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-amino-5-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,4-diol

> <ALOGPS_LOGP>
-2.99

> <JCHEM_LOGP>
-4.917138457

> <ALOGPS_LOGS>
-0.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
12.82180695362058

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.718323254188194

> <JCHEM_PKA_STRONGEST_BASIC>
8.671682025100413

> <JCHEM_POLAR_SURFACE_AREA>
201.11

> <JCHEM_REFRACTIVITY>
71.65169999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.26e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-amino-5-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,4-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0249120
     RDKit          3D
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine
 47 48  0  0  0  0  0  0  0  0999 V2000
   -1.7841   -0.9224    1.5019 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.5007    1.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8642    0.7711    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0833   -0.2140   -0.0968 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3854    0.1881    0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2377    0.0852   -1.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    1.2100   -2.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7344    1.1827   -3.2199 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5652    0.3465   -0.7686 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1283   -0.7233   -0.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1230   -0.1963    0.7408 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1317   -1.4255    0.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8262   -1.8749    1.9935 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0827   -0.4112    1.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2832   -1.0485    2.1740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5920    1.0353   -1.1020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7971    0.4309   -1.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6745   -0.9967   -1.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9469   -1.5512   -1.9335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7241    0.5113   -0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8161    1.3797   -0.3423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0822    1.0527    1.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8079    0.5805    2.2566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4512   -1.1320    2.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6915   -1.3413    1.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2047    0.9549    2.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2971    1.7216    0.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3272    1.3007    0.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2273   -0.8899   -1.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9968    2.2021   -1.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8079    1.1493   -2.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5708    1.6095   -2.9544 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5746   -1.4631   -0.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9358    0.7629    0.9649 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6720   -2.3023    0.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5927   -1.2179    2.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1698   -1.8987    2.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6799    0.3559    1.8455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8539   -1.8689    1.8162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3096    0.9791   -2.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2689   -0.9342   -2.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0742   -1.6507   -1.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4307   -1.2580   -2.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1525   -0.4958    0.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4119    2.2728   -0.4507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0945    2.1752    1.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6841    1.0579    2.2915 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
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  3 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  2  1  0
 14  5  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  3 27  1  0
  5 28  1  0
  6 29  1  0
  7 30  1  0
  7 31  1  0
  8 32  1  0
 10 33  1  0
 11 34  1  0
 12 35  1  0
 13 36  1  0
 13 37  1  0
 14 38  1  0
 15 39  1  0
 17 40  1  0
 18 41  1  0
 18 42  1  0
 19 43  1  0
 20 44  1  0
 21 45  1  0
 22 46  1  0
 23 47  1  0
M  END

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  N   UNK     0      -1.334  -0.770   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      -2.667  -4.620   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       0.000  -7.700   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0       4.001  -6.930   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   22                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7    9                                                  
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    6   10   22                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   20                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16   13   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   11   21                                                  
CONECT   21   20                                                            
CONECT   22    9    2   23                                                  
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

COMPND    HMDB0249120
HETATM    1  N1  UNL     1      -1.784  -0.922   1.502  1.00  0.00           N  
HETATM    2  C1  UNL     1      -1.700   0.501   1.265  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.864   0.771   0.013  1.00  0.00           C  
HETATM    4  O1  UNL     1       0.083  -0.214  -0.097  1.00  0.00           O  
HETATM    5  C3  UNL     1       1.385   0.188   0.091  1.00  0.00           C  
HETATM    6  C4  UNL     1       2.238   0.085  -1.147  1.00  0.00           C  
HETATM    7  C5  UNL     1       1.870   1.210  -2.117  1.00  0.00           C  
HETATM    8  O2  UNL     1       2.734   1.183  -3.220  1.00  0.00           O  
HETATM    9  O3  UNL     1       3.565   0.346  -0.769  1.00  0.00           O  
HETATM   10  C6  UNL     1       4.128  -0.723  -0.089  1.00  0.00           C  
HETATM   11  O4  UNL     1       5.123  -0.196   0.741  1.00  0.00           O  
HETATM   12  C7  UNL     1       3.132  -1.426   0.803  1.00  0.00           C  
HETATM   13  N2  UNL     1       3.826  -1.875   1.993  1.00  0.00           N  
HETATM   14  C8  UNL     1       2.083  -0.411   1.269  1.00  0.00           C  
HETATM   15  O5  UNL     1       1.283  -1.049   2.174  1.00  0.00           O  
HETATM   16  O6  UNL     1      -1.592   1.035  -1.102  1.00  0.00           O  
HETATM   17  C9  UNL     1      -2.797   0.431  -1.254  1.00  0.00           C  
HETATM   18  C10 UNL     1      -2.674  -0.997  -1.807  1.00  0.00           C  
HETATM   19  O7  UNL     1      -3.947  -1.551  -1.933  1.00  0.00           O  
HETATM   20  C11 UNL     1      -3.724   0.511  -0.091  1.00  0.00           C  
HETATM   21  O8  UNL     1      -4.816   1.380  -0.342  1.00  0.00           O  
HETATM   22  C12 UNL     1      -3.082   1.053   1.165  1.00  0.00           C  
HETATM   23  O9  UNL     1      -3.808   0.580   2.257  1.00  0.00           O  
HETATM   24  H1  UNL     1      -1.451  -1.132   2.444  1.00  0.00           H  
HETATM   25  H2  UNL     1      -2.692  -1.341   1.300  1.00  0.00           H  
HETATM   26  H3  UNL     1      -1.205   0.955   2.162  1.00  0.00           H  
HETATM   27  H4  UNL     1      -0.297   1.722   0.250  1.00  0.00           H  
HETATM   28  H5  UNL     1       1.327   1.301   0.301  1.00  0.00           H  
HETATM   29  H6  UNL     1       2.227  -0.890  -1.629  1.00  0.00           H  
HETATM   30  H7  UNL     1       1.997   2.202  -1.639  1.00  0.00           H  
HETATM   31  H8  UNL     1       0.808   1.149  -2.430  1.00  0.00           H  
HETATM   32  H9  UNL     1       3.571   1.610  -2.954  1.00  0.00           H  
HETATM   33  H10 UNL     1       4.575  -1.463  -0.757  1.00  0.00           H  
HETATM   34  H11 UNL     1       4.936   0.763   0.965  1.00  0.00           H  
HETATM   35  H12 UNL     1       2.672  -2.302   0.334  1.00  0.00           H  
HETATM   36  H13 UNL     1       4.593  -1.218   2.284  1.00  0.00           H  
HETATM   37  H14 UNL     1       3.170  -1.899   2.829  1.00  0.00           H  
HETATM   38  H15 UNL     1       2.680   0.356   1.846  1.00  0.00           H  
HETATM   39  H16 UNL     1       0.854  -1.869   1.816  1.00  0.00           H  
HETATM   40  H17 UNL     1      -3.310   0.979  -2.106  1.00  0.00           H  
HETATM   41  H18 UNL     1      -2.269  -0.934  -2.853  1.00  0.00           H  
HETATM   42  H19 UNL     1      -2.074  -1.651  -1.179  1.00  0.00           H  
HETATM   43  H20 UNL     1      -4.431  -1.258  -2.726  1.00  0.00           H  
HETATM   44  H21 UNL     1      -4.152  -0.496   0.180  1.00  0.00           H  
HETATM   45  H22 UNL     1      -4.412   2.273  -0.451  1.00  0.00           H  
HETATM   46  H23 UNL     1      -3.095   2.175   1.129  1.00  0.00           H  
HETATM   47  H24 UNL     1      -4.684   1.058   2.292  1.00  0.00           H  
CONECT    1    2   24   25
CONECT    2    3   22   26
CONECT    3    4   16   27
CONECT    4    5
CONECT    5    6   14   28
CONECT    6    7    9   29
CONECT    7    8   30   31
CONECT    8   32
CONECT    9   10
CONECT   10   11   12   33
CONECT   11   34
CONECT   12   13   14   35
CONECT   13   36   37
CONECT   14   15   38
CONECT   15   39
CONECT   16   17
CONECT   17   18   20   40
CONECT   18   19   41   42
CONECT   19   43
CONECT   20   21   22   44
CONECT   21   45
CONECT   22   23   46
CONECT   23   47
END

HMDB0249120
     RDKit          3D
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine
 47 48  0  0  0  0  0  0  0  0999 V2000
   -1.7841   -0.9224    1.5019 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.5007    1.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8642    0.7711    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0833   -0.2140   -0.0968 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3854    0.1881    0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2377    0.0852   -1.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    1.2100   -2.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7344    1.1827   -3.2199 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5652    0.3465   -0.7686 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1283   -0.7233   -0.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1230   -0.1963    0.7408 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1317   -1.4255    0.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8262   -1.8749    1.9935 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0827   -0.4112    1.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2832   -1.0485    2.1740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5920    1.0353   -1.1020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7971    0.4309   -1.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6745   -0.9967   -1.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9469   -1.5512   -1.9335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7241    0.5113   -0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8161    1.3797   -0.3423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0822    1.0527    1.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8079    0.5805    2.2566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4512   -1.1320    2.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6915   -1.3413    1.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2047    0.9549    2.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2971    1.7216    0.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3272    1.3007    0.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2273   -0.8899   -1.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9968    2.2021   -1.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8079    1.1493   -2.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5708    1.6095   -2.9544 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5746   -1.4631   -0.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9358    0.7629    0.9649 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6720   -2.3023    0.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5927   -1.2179    2.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1698   -1.8987    2.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6799    0.3559    1.8455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8539   -1.8689    1.8162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3096    0.9791   -2.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2689   -0.9342   -2.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0742   -1.6507   -1.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4307   -1.2580   -2.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1525   -0.4958    0.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4119    2.2728   -0.4507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0945    2.1752    1.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6841    1.0579    2.2915 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
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  3 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  2  1  0
 14  5  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  3 27  1  0
  5 28  1  0
  6 29  1  0
  7 30  1  0
  7 31  1  0
  8 32  1  0
 10 33  1  0
 11 34  1  0
 12 35  1  0
 13 36  1  0
 13 37  1  0
 14 38  1  0
 15 39  1  0
 17 40  1  0
 18 41  1  0
 18 42  1  0
 19 43  1  0
 20 44  1  0
 21 45  1  0
 22 46  1  0
 23 47  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₁₂H₂₄N₂O₉

Average Molecular Weight

340.329

Monoisotopic Molecular Weight

340.148180361

IUPAC Name

3-amino-5-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,4-diol

Traditional Name

3-amino-5-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,4-diol

CAS Registry Number

Not Available

SMILES

NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N)C1O

InChI Identifier

InChI=1S/C12H24N2O9/c13-5-9(19)10(4(2-16)21-11(5)20)23-12-6(14)8(18)7(17)3(1-15)22-12/h3-12,15-20H,1-2,13-14H2

InChI Key

QLTSDROPCWIKKY-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Aminoglycosides

Alternative Parents

Substituents

Aminoglycoside core
Disaccharide
Glycosyl compound
O-glycosyl compound
Oxane
1,2-aminoalcohol
Hemiacetal
Secondary alcohol
Organoheterocyclic compound
Acetal
Oxacycle
Organonitrogen compound
Alcohol
Primary aliphatic amine
Hydrocarbon derivative
Organopnictogen compound
Organic nitrogen compound
Amine
Primary alcohol
Primary amine
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

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
logP	-3	ALOGPS
logP	-4.9	ChemAxon
logS	-0.02	ALOGPS
pKa (Strongest Acidic)	11.72	ChemAxon
pKa (Strongest Basic)	8.67	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	201.11 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	71.65 m³·mol⁻¹	ChemAxon
Polarizability	32.75 Å³	ChemAxon
Number of Rings	2	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
DeepCCS	[M+H]+	176.687	30932474
DeepCCS	[M-H]-	174.329	30932474
DeepCCS	[M-2H]-	207.712	30932474
DeepCCS	[M+Na]+	183.055	30932474
AllCCS	[M+H]+	178.5	32859911
AllCCS	[M+H-H2O]+	175.5	32859911
AllCCS	[M+NH4]+	181.2	32859911
AllCCS	[M+Na]+	181.9	32859911
AllCCS	[M-H]-	176.1	32859911
AllCCS	[M+Na-2H]-	175.6	32859911
AllCCS	[M+HCOO]-	175.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine	NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N)C1O	3025.4	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine	NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N)C1O	3083.0	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine	NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N)C1O	3088.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TMS,isomer #57	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	3149.2	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TMS,isomer #57	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	3089.5	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TMS,isomer #57	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	4376.8	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,5TMS,isomer #10	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	2989.8	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,5TMS,isomer #10	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	3138.8	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,5TMS,isomer #10	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	3950.3	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,5TMS,isomer #72	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O	3020.7	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,5TMS,isomer #72	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O	3161.1	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,5TMS,isomer #72	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O	4100.6	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,5TMS,isomer #73	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O)C1O	3050.6	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,5TMS,isomer #73	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O)C1O	3172.5	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,5TMS,isomer #73	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O)C1O	4344.8	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,5TMS,isomer #80	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	2995.5	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,5TMS,isomer #80	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	3159.1	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,5TMS,isomer #80	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	4009.0	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,5TMS,isomer #84	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	3138.5	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,5TMS,isomer #84	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	3215.7	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,5TMS,isomer #84	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	4148.0	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #14	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	2886.0	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #14	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	3182.2	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #14	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	3666.8	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #18	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	3076.1	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #18	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	3220.4	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #18	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	3807.8	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #6	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O	2886.0	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #6	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O	3185.8	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #6	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O	3737.2	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #66	C[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3245.8	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #66	C[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3276.5	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #66	C[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3924.9	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #69	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2901.3	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #69	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3203.6	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #69	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3790.1	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O)C1O	3009.6	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O)C1O	3173.3	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O)C1O	4051.5	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #70	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O[Si](C)(C)C)C1O	3037.7	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #70	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O[Si](C)(C)C)C1O	3228.3	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #70	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O[Si](C)(C)C)C1O	4057.3	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #73	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O)C1O[Si](C)(C)C	3031.9	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #73	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O)C1O[Si](C)(C)C	3175.8	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #73	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O)C1O[Si](C)(C)C	4106.7	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #76	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O	3093.7	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #76	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O	3267.3	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #76	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O	3931.4	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #83	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	3094.9	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #83	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	3256.6	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #83	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	3852.9	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #84	C[Si](C)(C)OCC1OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1N([Si](C)(C)C)[Si](C)(C)C	3201.6	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #84	C[Si](C)(C)OCC1OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1N([Si](C)(C)C)[Si](C)(C)C	3320.1	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,6TMS,isomer #84	C[Si](C)(C)OCC1OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1N([Si](C)(C)C)[Si](C)(C)C	4015.7	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #1	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N)C1O[Si](C)(C)C	2789.4	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #1	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N)C1O[Si](C)(C)C	3141.6	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #1	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N)C1O[Si](C)(C)C	3747.6	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #10	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O	3046.3	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #10	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O	3267.4	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #10	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O	3600.7	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #11	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N[Si](C)(C)C)C1O[Si](C)(C)C	2865.7	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #11	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N[Si](C)(C)C)C1O[Si](C)(C)C	3202.8	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #11	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N[Si](C)(C)C)C1O[Si](C)(C)C	3394.8	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #12	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1N	3009.9	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #12	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1N	3188.8	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #12	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1N	3786.1	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #13	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(N)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	2990.7	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #13	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(N)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3190.6	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #13	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(N)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3794.8	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #14	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3079.9	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #14	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3262.0	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #14	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3606.8	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #15	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	3065.8	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #15	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	3250.5	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #15	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	3578.7	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #16	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3051.2	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #16	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3253.1	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #16	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3568.7	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #17	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	3059.1	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #17	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	3260.8	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #17	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	3530.6	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #18	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1N([Si](C)(C)C)[Si](C)(C)C	3237.7	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #18	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1N([Si](C)(C)C)[Si](C)(C)C	3324.5	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #18	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1N([Si](C)(C)C)[Si](C)(C)C	3696.6	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #19	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N[Si](C)(C)C)C1O	2869.6	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #19	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N[Si](C)(C)C)C1O	3212.3	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #19	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N[Si](C)(C)C)C1O	3538.8	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #2	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2785.3	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #2	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3162.2	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #2	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3742.4	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #20	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1N	3040.4	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #20	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1N	3246.1	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #20	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1N	3881.1	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #21	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(N)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	2998.6	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #21	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(N)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3185.2	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #21	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(N)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3870.1	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #22	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3091.2	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #22	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3307.9	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #22	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3660.5	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #23	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O	3075.2	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #23	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O	3262.5	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #23	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O	3695.8	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #24	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3098.2	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #24	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3295.1	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #24	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3734.0	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #25	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2N([Si](C)(C)C)[Si](C)(C)C)C1O	3104.2	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #25	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2N([Si](C)(C)C)[Si](C)(C)C)C1O	3275.9	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #25	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2N([Si](C)(C)C)[Si](C)(C)C)C1O	3733.5	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O	3276.9	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O	3367.0	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O	3823.1	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #27	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3076.6	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #27	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3283.7	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #27	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3587.8	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #28	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O	3057.2	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #28	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O	3238.1	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #28	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O	3627.7	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #29	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1N([Si](C)(C)C)[Si](C)(C)C	3267.8	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #29	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1N([Si](C)(C)C)[Si](C)(C)C	3344.7	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #29	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1N([Si](C)(C)C)[Si](C)(C)C	3796.3	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #3	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2877.9	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #3	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3228.3	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #3	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3463.5	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #30	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3257.8	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #30	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3332.8	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #30	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3760.3	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #31	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N[Si](C)(C)C)C1O[Si](C)(C)C	2875.7	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #31	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N[Si](C)(C)C)C1O[Si](C)(C)C	3211.2	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #31	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N[Si](C)(C)C)C1O[Si](C)(C)C	3398.1	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3018.6	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3192.1	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3800.1	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C(N)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3002.2	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C(N)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3186.4	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C(N)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3781.5	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #34	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3062.8	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #34	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3255.9	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #34	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3549.5	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #35	C[Si](C)(C)NC1C(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3068.7	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #35	C[Si](C)(C)NC1C(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3269.8	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #35	C[Si](C)(C)NC1C(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3553.0	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #36	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3078.0	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #36	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3265.7	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #36	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3588.2	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #37	C[Si](C)(C)NC1C(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3065.2	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #37	C[Si](C)(C)NC1C(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3258.4	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #37	C[Si](C)(C)NC1C(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3627.8	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O	3254.3	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O	3325.6	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O	3717.5	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #39	C[Si](C)(C)NC1C(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3072.2	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #39	C[Si](C)(C)NC1C(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3289.5	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #39	C[Si](C)(C)NC1C(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3607.8	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O[Si](C)(C)C)C1O	3024.0	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O[Si](C)(C)C)C1O	3222.8	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O[Si](C)(C)C)C1O	3820.8	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #40	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O	3061.1	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #40	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O	3241.9	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #40	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O	3580.9	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3269.9	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3335.5	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3757.5	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3282.4	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3353.6	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3794.5	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #43	C[Si](C)(C)NC1C(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3064.4	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #43	C[Si](C)(C)NC1C(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3244.6	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #43	C[Si](C)(C)NC1C(OC2C(CO)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3485.2	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #44	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3057.5	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #44	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3230.2	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #44	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3486.0	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #45	C[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C1N([Si](C)(C)C)[Si](C)(C)C	3256.5	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #45	C[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C1N([Si](C)(C)C)[Si](C)(C)C	3314.1	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #45	C[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C1N([Si](C)(C)C)[Si](C)(C)C	3695.9	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #46	C[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3260.2	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #46	C[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3300.2	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #46	C[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3694.4	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #47	C[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3241.6	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #47	C[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3290.1	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #47	C[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3656.9	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #48	C[Si](C)(C)NC1C(O)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N[Si](C)(C)C)C1O[Si](C)(C)C	2879.7	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #48	C[Si](C)(C)NC1C(O)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N[Si](C)(C)C)C1O[Si](C)(C)C	3215.0	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #48	C[Si](C)(C)NC1C(O)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N[Si](C)(C)C)C1O[Si](C)(C)C	3521.8	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #49	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3020.9	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #49	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3237.9	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #49	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3883.8	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3016.1	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3216.7	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3846.9	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #50	C[Si](C)(C)OCC1OC(O)C(N)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	2971.3	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #50	C[Si](C)(C)OCC1OC(O)C(N)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3188.7	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #50	C[Si](C)(C)OCC1OC(O)C(N)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3867.6	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #51	C[Si](C)(C)NC1C(O)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3058.5	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #51	C[Si](C)(C)NC1C(O)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3268.2	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #51	C[Si](C)(C)NC1C(O)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3677.7	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #52	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3076.7	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #52	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3297.7	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #52	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3655.5	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #53	C[Si](C)(C)NC1C(O)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3085.9	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #53	C[Si](C)(C)NC1C(O)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3281.6	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #53	C[Si](C)(C)NC1C(O)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3715.6	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #54	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3091.0	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #54	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3284.4	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #54	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3728.6	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #55	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O	3257.1	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #55	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O	3358.0	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #55	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O	3815.4	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #56	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3061.9	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #56	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3273.2	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #56	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3584.0	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #57	C[Si](C)(C)NC1C(O)OC(CO[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3035.3	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #57	C[Si](C)(C)NC1C(O)OC(CO[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3243.9	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #57	C[Si](C)(C)NC1C(O)OC(CO[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3609.9	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #58	C[Si](C)(C)OCC1OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1N([Si](C)(C)C)[Si](C)(C)C	3247.6	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #58	C[Si](C)(C)OCC1OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1N([Si](C)(C)C)[Si](C)(C)C	3336.9	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #58	C[Si](C)(C)OCC1OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1N([Si](C)(C)C)[Si](C)(C)C	3789.3	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #59	C[Si](C)(C)OCC1OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3230.9	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #59	C[Si](C)(C)OCC1OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3325.6	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #59	C[Si](C)(C)OCC1OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3753.6	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #6	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2871.4	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #6	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3211.7	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #6	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3538.9	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #60	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3094.2	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #60	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3305.5	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #60	C[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3703.2	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #61	C[Si](C)(C)NC1C(O)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O	3069.5	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #61	C[Si](C)(C)NC1C(O)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O	3243.2	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #61	C[Si](C)(C)NC1C(O)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O	3696.7	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #62	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3273.3	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #62	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3350.1	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #62	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3848.5	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #63	C[Si](C)(C)OCC1OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1N([Si](C)(C)C)[Si](C)(C)C	3283.9	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #63	C[Si](C)(C)OCC1OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1N([Si](C)(C)C)[Si](C)(C)C	3368.2	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #63	C[Si](C)(C)OCC1OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1N([Si](C)(C)C)[Si](C)(C)C	3884.4	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #64	C[Si](C)(C)OCC1OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3265.7	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #64	C[Si](C)(C)OCC1OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3328.6	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #64	C[Si](C)(C)OCC1OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1N([Si](C)(C)C)[Si](C)(C)C	3784.9	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #65	C[Si](C)(C)NC1C(OC2C(CO)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3053.7	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #65	C[Si](C)(C)NC1C(OC2C(CO)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3279.2	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #65	C[Si](C)(C)NC1C(OC2C(CO)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3605.5	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #66	C[Si](C)(C)NC1C(O)OC(CO)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3047.7	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #66	C[Si](C)(C)NC1C(O)OC(CO)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3247.0	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #66	C[Si](C)(C)NC1C(O)OC(CO)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3579.4	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #67	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3239.4	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #67	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3326.5	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #67	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3753.4	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #68	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3259.0	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #68	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3342.8	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #68	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3790.4	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #69	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3266.2	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #69	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3337.5	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #69	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3763.2	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O)C1O[Si](C)(C)C	3000.5	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O)C1O[Si](C)(C)C	3174.2	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N)C(O)C1O[Si](C)(C)C	3872.8	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #70	C[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3235.5	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #70	C[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3304.3	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #70	C[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(O)C(N([Si](C)(C)C)[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3692.1	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3026.5	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3230.2	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C(N)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3880.5	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #9	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3084.7	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #9	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3283.7	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,7TMS,isomer #9	C[Si](C)(C)NC1C(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3622.7	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O)C(N)C2O[Si](C)(C)C(C)(C)C)C(N)C(O)C1O	3643.1	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O)C(N)C2O[Si](C)(C)C(C)(C)C)C(N)C(O)C1O	3626.7	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O)C(N)C2O[Si](C)(C)C(C)(C)C)C(N)C(O)C1O	5082.0	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)C(N)C2O[Si](C)(C)C(C)(C)C)C(N)C(O)C1O	3717.2	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)C(N)C2O[Si](C)(C)C(C)(C)C)C(N)C(O)C1O	3795.2	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)C(N)C2O[Si](C)(C)C(C)(C)C)C(N)C(O)C1O	4784.9	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TBDMS,isomer #106	CC(C)(C)[Si](C)(C)NC1C(OC2C(CO)OC(O)C(N[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3799.8	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TBDMS,isomer #106	CC(C)(C)[Si](C)(C)NC1C(OC2C(CO)OC(O)C(N[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3829.5	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TBDMS,isomer #106	CC(C)(C)[Si](C)(C)NC1C(OC2C(CO)OC(O)C(N[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4343.7	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O)C(N)C2O[Si](C)(C)C(C)(C)C)C(N)C(O[Si](C)(C)C(C)(C)C)C1O	3768.3	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O)C(N)C2O[Si](C)(C)C(C)(C)C)C(N)C(O[Si](C)(C)C(C)(C)C)C1O	3797.1	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O)C(N)C2O[Si](C)(C)C(C)(C)C)C(N)C(O[Si](C)(C)C(C)(C)C)C1O	4780.6	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O)C(N)C2O[Si](C)(C)C(C)(C)C)C(N)C(O)C1O[Si](C)(C)C(C)(C)C	3739.7	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O)C(N)C2O[Si](C)(C)C(C)(C)C)C(N)C(O)C1O[Si](C)(C)C(C)(C)C	3765.6	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O)C(N)C2O[Si](C)(C)C(C)(C)C)C(N)C(O)C1O[Si](C)(C)C(C)(C)C	4833.5	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TBDMS,isomer #57	CC(C)(C)[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O)C(N[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3792.4	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TBDMS,isomer #57	CC(C)(C)[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O)C(N[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3862.3	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TBDMS,isomer #57	CC(C)(C)[Si](C)(C)NC1C(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O)C(N[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	4430.2	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TBDMS,isomer #85	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C(N)C2O[Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C1O	3964.8	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TBDMS,isomer #85	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C(N)C2O[Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C1O	3866.7	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TBDMS,isomer #85	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C(N)C2O[Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C1O	4593.5	Standard polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TBDMS,isomer #98	CC(C)(C)[Si](C)(C)NC1C(OC2C(CO)OC(O)C(N[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	3795.3	Semi standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TBDMS,isomer #98	CC(C)(C)[Si](C)(C)NC1C(OC2C(CO)OC(O)C(N[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	3820.4	Standard non polar	33892256
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine,4TBDMS,isomer #98	CC(C)(C)[Si](C)(C)NC1C(OC2C(CO)OC(O)C(N[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	4384.7	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0c29-8395000000-6312d31ba075162ad075	2021-09-24	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-03	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 - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine 10V, Positive-QTOF	splash10-01vo-0409000000-c3d4134beff279500ae6	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine 20V, Positive-QTOF	splash10-01ox-2935000000-57f2dadcd95cc6288fbb	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine 40V, Positive-QTOF	splash10-01vo-9520000000-880b27602313c9d8ee3c	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine 10V, Negative-QTOF	splash10-000i-2159000000-484a1f4f1dd6f525cb85	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine 20V, Negative-QTOF	splash10-052r-8579000000-05eeda64a421d9e16153	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-glucosaminyl-(1->4)-beta-D-glucosamine 40V, Negative-QTOF	splash10-052f-9320000000-a15244d9e9f4663bebb4	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

2700197

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

3458144

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

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for beta-D-glucosaminyl-(1->4)-beta-D-glucosamine (HMDB0249120)

MOL for HMDB0249120 (beta-D-glucosaminyl-(1->4)-beta-D-glucosamine)

3D MOL for HMDB0249120 (beta-D-glucosaminyl-(1->4)-beta-D-glucosamine)

3D SDF for HMDB0249120 (beta-D-glucosaminyl-(1->4)-beta-D-glucosamine)

3D-SDF for HMDB0249120 (beta-D-glucosaminyl-(1->4)-beta-D-glucosamine)

PDB for HMDB0249120 (beta-D-glucosaminyl-(1->4)-beta-D-glucosamine)

3D PDB for HMDB0249120 (beta-D-glucosaminyl-(1->4)-beta-D-glucosamine)

SMILES for HMDB0249120 (beta-D-glucosaminyl-(1->4)-beta-D-glucosamine)

INCHI for HMDB0249120 (beta-D-glucosaminyl-(1->4)-beta-D-glucosamine)

Structure for HMDB0249120 (beta-D-glucosaminyl-(1->4)-beta-D-glucosamine)

3D Structure for HMDB0249120 (beta-D-glucosaminyl-(1->4)-beta-D-glucosamine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra