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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2007-05-24 11:22:41 UTC

Update Date

2021-09-14 15:46:06 UTC

HMDB ID

HMDB0006575

Secondary Accession Numbers

HMDB06575

Metabolite Identification

Common Name

Lacto-N-biose I

Description

Lacto-N-biose I, also known as gal(b1-3)a-glcnac, belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group. Lacto-N-biose I has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make lacto-N-biose I a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Lacto-N-biose I.

Structure

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


  Mrv0541 02231220432D          

 26 27  0  0  1  0            999 V2000
   18.9309   -5.6513    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.2163   -5.2388    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.2163   -4.4138    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.9309   -4.0013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6454   -4.4138    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.6454   -5.2388    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.5019   -8.1263    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.5019   -6.4763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7874   -6.8888    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.2163   -6.8888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.2163   -7.7138    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.7874   -7.7138    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.9308   -8.1263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5019   -8.9513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0729   -8.1263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0729   -6.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9308   -6.4763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3599   -5.6513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3599   -6.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0743   -6.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6454   -6.8888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5019   -5.6513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5019   -4.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5019   -3.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3599   -4.0013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0729   -5.6513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  6  0  0  0
  7 14  1  1  0  0  0
 12 15  1  1  0  0  0
  9 16  1  1  0  0  0
 10 17  1  1  0  0  0
  1 17  1  1  0  0  0
  6 18  1  6  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
  2 22  1  6  0  0  0
  3 23  1  1  0  0  0
 24 23  1  0  0  0  0
  5 25  1  6  0  0  0
 26 16  1  0  0  0  0
M  END

HMDB0006575
     RDKit          3D
Lacto-N-biose I
 51 52  0  0  0  0  0  0  0  0999 V2000
   -2.5383    3.1868   -2.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5084    2.3157   -0.9943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6787    2.8408    0.1331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2981    0.9371   -1.0794 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2608    0.0492    0.0622 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4082   -0.9263   -0.0248 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4584   -0.2995   -0.6900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0024   -2.0003   -0.7784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1600   -2.7976   -0.0198 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9192   -3.7301    0.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9581   -4.4739    1.6089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1814   -2.0085    0.8027 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0157   -2.7694    0.8923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172   -0.6613    0.1355 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0718    0.1270    0.8574 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0705    0.5369    0.1921 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1475   -0.0738    0.8326 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3396    0.1134    0.1564 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4448   -0.5568    0.9179 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2340   -1.9295    1.0607 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625    1.5907    0.0784 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8891    1.8897    0.6685 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5927    2.3305    0.8530 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5178    1.8143    2.1575 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    2.0124    0.1958 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2117    2.5545   -1.1054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0152    4.1589   -1.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0144    2.7295   -3.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5452    3.4497   -2.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1578    0.5042   -2.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4265    0.6889    0.9579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7857   -1.2042    0.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6751    0.5324   -0.2014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5995   -3.4432   -0.7271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4334   -3.0937    1.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6305   -4.3746    0.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0657   -5.4289    1.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5821   -1.8204    1.8387 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655   -3.1503    1.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6002   -0.8816   -0.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0970    0.1313   -0.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3046   -0.3543   -0.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6757   -0.0716    1.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3781   -0.4628    0.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0990   -2.1830    2.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6107    1.9528   -0.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5460    2.0172   -0.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7887    3.4210    0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9668    2.3558    2.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4977    2.5678    0.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4989    1.8871   -1.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 14  5  1  0
 25 16  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  5 31  1  1
  6 32  1  1
  7 33  1  0
  9 34  1  6
 10 35  1  0
 10 36  1  0
 11 37  1  0
 12 38  1  1
 13 39  1  0
 14 40  1  6
 16 41  1  6
 18 42  1  6
 19 43  1  0
 19 44  1  0
 20 45  1  0
 21 46  1  6
 22 47  1  0
 23 48  1  1
 24 49  1  0
 25 50  1  1
 26 51  1  0
M  END


  Mrv0541 02231220432D          

 26 27  0  0  1  0            999 V2000
   18.9309   -5.6513    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.2163   -5.2388    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.2163   -4.4138    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.9309   -4.0013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6454   -4.4138    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.6454   -5.2388    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.5019   -8.1263    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.5019   -6.4763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7874   -6.8888    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.2163   -6.8888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.2163   -7.7138    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.7874   -7.7138    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.9308   -8.1263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5019   -8.9513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0729   -8.1263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0729   -6.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9308   -6.4763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3599   -5.6513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3599   -6.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0743   -6.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6454   -6.8888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5019   -5.6513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5019   -4.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5019   -3.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3599   -4.0013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0729   -5.6513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  6  0  0  0
  7 14  1  1  0  0  0
 12 15  1  1  0  0  0
  9 16  1  1  0  0  0
 10 17  1  1  0  0  0
  1 17  1  1  0  0  0
  6 18  1  6  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
  2 22  1  6  0  0  0
  3 23  1  1  0  0  0
 24 23  1  0  0  0  0
  5 25  1  6  0  0  0
 26 16  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0006575

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13+,14+/m1/s1

> <INCHI_KEY>
HMQPEDMEOBLSQB-RCBHQUQDSA-N

> <FORMULA>
C14H25NO11

> <MOLECULAR_WEIGHT>
383.3484

> <EXACT_MASS>
383.142760647

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
35.89910380011098

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide

> <ALOGPS_LOGP>
-2.80

> <JCHEM_LOGP>
-4.991410057333334

> <ALOGPS_LOGS>
-0.17

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.205563776562057

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.494146945668488

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981030798011294

> <JCHEM_POLAR_SURFACE_AREA>
198.39999999999998

> <JCHEM_REFRACTIVITY>
79.43799999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.62e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0006575
     RDKit          3D
Lacto-N-biose I
 51 52  0  0  0  0  0  0  0  0999 V2000
   -2.5383    3.1868   -2.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5084    2.3157   -0.9943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6787    2.8408    0.1331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2981    0.9371   -1.0794 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2608    0.0492    0.0622 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4082   -0.9263   -0.0248 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4584   -0.2995   -0.6900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0024   -2.0003   -0.7784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1600   -2.7976   -0.0198 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9192   -3.7301    0.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9581   -4.4739    1.6089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1814   -2.0085    0.8027 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0157   -2.7694    0.8923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172   -0.6613    0.1355 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0718    0.1270    0.8574 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0705    0.5369    0.1921 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1475   -0.0738    0.8326 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3396    0.1134    0.1564 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4448   -0.5568    0.9179 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2340   -1.9295    1.0607 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625    1.5907    0.0784 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8891    1.8897    0.6685 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5927    2.3305    0.8530 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5178    1.8143    2.1575 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    2.0124    0.1958 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2117    2.5545   -1.1054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0152    4.1589   -1.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0144    2.7295   -3.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5452    3.4497   -2.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1578    0.5042   -2.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4265    0.6889    0.9579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7857   -1.2042    0.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6751    0.5324   -0.2014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5995   -3.4432   -0.7271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4334   -3.0937    1.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6305   -4.3746    0.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0657   -5.4289    1.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5821   -1.8204    1.8387 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655   -3.1503    1.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6002   -0.8816   -0.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0970    0.1313   -0.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3046   -0.3543   -0.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6757   -0.0716    1.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3781   -0.4628    0.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0990   -2.1830    2.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6107    1.9528   -0.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5460    2.0172   -0.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7887    3.4210    0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9668    2.3558    2.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4977    2.5678    0.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4989    1.8871   -1.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 14  5  1  0
 25 16  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  5 31  1  1
  6 32  1  1
  7 33  1  0
  9 34  1  6
 10 35  1  0
 10 36  1  0
 11 37  1  0
 12 38  1  1
 13 39  1  0
 14 40  1  6
 16 41  1  6
 18 42  1  6
 19 43  1  0
 19 44  1  0
 20 45  1  0
 21 46  1  6
 22 47  1  0
 23 48  1  1
 24 49  1  0
 25 50  1  1
 26 51  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      35.338 -10.549   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      34.004  -9.779   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      34.004  -8.239   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      35.338  -7.469   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      36.671  -8.239   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      36.671  -9.779   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      32.670 -15.169   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      32.670 -12.089   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      31.336 -12.859   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      34.004 -12.859   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      34.004 -14.399   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      31.336 -14.399   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      35.337 -15.169   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      32.670 -16.709   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      30.003 -15.169   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      30.003 -12.089   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      35.337 -12.089   0.000  0.00  0.00           O+0
HETATM   18  N   UNK     0      38.005 -10.549   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      38.005 -12.089   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      39.339 -12.859   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      36.671 -12.859   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      32.670 -10.549   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      32.670  -7.469   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      32.670  -5.929   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      38.005  -7.469   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      30.003 -10.549   0.000  0.00  0.00           O+0
CONECT    1    2    6   17                                                  
CONECT    2    1    3   22                                                  
CONECT    3    2    4   23                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   25                                                  
CONECT    6    1    5   18                                                  
CONECT    7   11   12   14                                                  
CONECT    8    9   10                                                       
CONECT    9    8   12   16                                                  
CONECT   10    8   11   17                                                  
CONECT   11    7   10   13                                                  
CONECT   12    7    9   15                                                  
CONECT   13   11                                                            
CONECT   14    7                                                            
CONECT   15   12                                                            
CONECT   16    9   26                                                       
CONECT   17   10    1                                                       
CONECT   18    6   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22    2                                                            
CONECT   23    3   24                                                       
CONECT   24   23                                                            
CONECT   25    5                                                            
CONECT   26   16                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   54    0
END

COMPND    HMDB0006575
HETATM    1  C1  UNL     1      -2.538   3.187  -2.192  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.508   2.316  -0.994  1.00  0.00           C  
HETATM    3  O1  UNL     1      -2.679   2.841   0.133  1.00  0.00           O  
HETATM    4  N1  UNL     1      -2.298   0.937  -1.079  1.00  0.00           N  
HETATM    5  C3  UNL     1      -2.261   0.049   0.062  1.00  0.00           C  
HETATM    6  C4  UNL     1      -3.408  -0.926  -0.025  1.00  0.00           C  
HETATM    7  O2  UNL     1      -4.458  -0.299  -0.690  1.00  0.00           O  
HETATM    8  O3  UNL     1      -3.002  -2.000  -0.778  1.00  0.00           O  
HETATM    9  C5  UNL     1      -2.160  -2.798  -0.020  1.00  0.00           C  
HETATM   10  C6  UNL     1      -2.919  -3.730   0.906  1.00  0.00           C  
HETATM   11  O4  UNL     1      -1.958  -4.474   1.609  1.00  0.00           O  
HETATM   12  C7  UNL     1      -1.181  -2.008   0.803  1.00  0.00           C  
HETATM   13  O5  UNL     1      -0.016  -2.769   0.892  1.00  0.00           O  
HETATM   14  C8  UNL     1      -0.917  -0.661   0.135  1.00  0.00           C  
HETATM   15  O6  UNL     1      -0.072   0.127   0.857  1.00  0.00           O  
HETATM   16  C9  UNL     1       1.071   0.537   0.192  1.00  0.00           C  
HETATM   17  O7  UNL     1       2.148  -0.074   0.833  1.00  0.00           O  
HETATM   18  C10 UNL     1       3.340   0.113   0.156  1.00  0.00           C  
HETATM   19  C11 UNL     1       4.445  -0.557   0.918  1.00  0.00           C  
HETATM   20  O8  UNL     1       4.234  -1.929   1.061  1.00  0.00           O  
HETATM   21  C12 UNL     1       3.662   1.591   0.078  1.00  0.00           C  
HETATM   22  O9  UNL     1       4.889   1.890   0.669  1.00  0.00           O  
HETATM   23  C13 UNL     1       2.593   2.331   0.853  1.00  0.00           C  
HETATM   24  O10 UNL     1       2.518   1.814   2.158  1.00  0.00           O  
HETATM   25  C14 UNL     1       1.269   2.012   0.196  1.00  0.00           C  
HETATM   26  O11 UNL     1       1.212   2.555  -1.105  1.00  0.00           O  
HETATM   27  H1  UNL     1      -2.015   4.159  -1.967  1.00  0.00           H  
HETATM   28  H2  UNL     1      -2.014   2.730  -3.058  1.00  0.00           H  
HETATM   29  H3  UNL     1      -3.545   3.450  -2.526  1.00  0.00           H  
HETATM   30  H4  UNL     1      -2.158   0.504  -2.014  1.00  0.00           H  
HETATM   31  H5  UNL     1      -2.426   0.689   0.958  1.00  0.00           H  
HETATM   32  H6  UNL     1      -3.786  -1.204   0.975  1.00  0.00           H  
HETATM   33  H7  UNL     1      -4.675   0.532  -0.201  1.00  0.00           H  
HETATM   34  H8  UNL     1      -1.600  -3.443  -0.727  1.00  0.00           H  
HETATM   35  H9  UNL     1      -3.433  -3.094   1.656  1.00  0.00           H  
HETATM   36  H10 UNL     1      -3.631  -4.375   0.364  1.00  0.00           H  
HETATM   37  H11 UNL     1      -2.066  -5.429   1.416  1.00  0.00           H  
HETATM   38  H12 UNL     1      -1.582  -1.820   1.839  1.00  0.00           H  
HETATM   39  H13 UNL     1       0.066  -3.150   1.819  1.00  0.00           H  
HETATM   40  H14 UNL     1      -0.600  -0.882  -0.889  1.00  0.00           H  
HETATM   41  H15 UNL     1       1.097   0.131  -0.863  1.00  0.00           H  
HETATM   42  H16 UNL     1       3.305  -0.354  -0.853  1.00  0.00           H  
HETATM   43  H17 UNL     1       4.676  -0.072   1.883  1.00  0.00           H  
HETATM   44  H18 UNL     1       5.378  -0.463   0.294  1.00  0.00           H  
HETATM   45  H19 UNL     1       4.099  -2.183   2.027  1.00  0.00           H  
HETATM   46  H20 UNL     1       3.611   1.953  -0.977  1.00  0.00           H  
HETATM   47  H21 UNL     1       5.546   2.017  -0.051  1.00  0.00           H  
HETATM   48  H22 UNL     1       2.789   3.421   0.892  1.00  0.00           H  
HETATM   49  H23 UNL     1       1.967   2.356   2.743  1.00  0.00           H  
HETATM   50  H24 UNL     1       0.498   2.568   0.768  1.00  0.00           H  
HETATM   51  H25 UNL     1       1.499   1.887  -1.750  1.00  0.00           H  
CONECT    1    2   27   28   29
CONECT    2    3    3    4
CONECT    4    5   30
CONECT    5    6   14   31
CONECT    6    7    8   32
CONECT    7   33
CONECT    8    9
CONECT    9   10   12   34
CONECT   10   11   35   36
CONECT   11   37
CONECT   12   13   14   38
CONECT   13   39
CONECT   14   15   40
CONECT   15   16
CONECT   16   17   25   41
CONECT   17   18
CONECT   18   19   21   42
CONECT   19   20   43   44
CONECT   20   45
CONECT   21   22   23   46
CONECT   22   47
CONECT   23   24   25   48
CONECT   24   49
CONECT   25   26   50
CONECT   26   51
END

HMDB0006575
     RDKit          3D
Lacto-N-biose I
 51 52  0  0  0  0  0  0  0  0999 V2000
   -2.5383    3.1868   -2.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5084    2.3157   -0.9943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6787    2.8408    0.1331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2981    0.9371   -1.0794 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2608    0.0492    0.0622 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4082   -0.9263   -0.0248 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4584   -0.2995   -0.6900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0024   -2.0003   -0.7784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1600   -2.7976   -0.0198 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9192   -3.7301    0.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9581   -4.4739    1.6089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1814   -2.0085    0.8027 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0157   -2.7694    0.8923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172   -0.6613    0.1355 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0718    0.1270    0.8574 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0705    0.5369    0.1921 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1475   -0.0738    0.8326 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3396    0.1134    0.1564 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4448   -0.5568    0.9179 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2340   -1.9295    1.0607 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625    1.5907    0.0784 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8891    1.8897    0.6685 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5927    2.3305    0.8530 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5178    1.8143    2.1575 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    2.0124    0.1958 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2117    2.5545   -1.1054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0152    4.1589   -1.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0144    2.7295   -3.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5452    3.4497   -2.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1578    0.5042   -2.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4265    0.6889    0.9579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7857   -1.2042    0.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6751    0.5324   -0.2014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5995   -3.4432   -0.7271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4334   -3.0937    1.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6305   -4.3746    0.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0657   -5.4289    1.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5821   -1.8204    1.8387 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655   -3.1503    1.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6002   -0.8816   -0.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0970    0.1313   -0.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3046   -0.3543   -0.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6757   -0.0716    1.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3781   -0.4628    0.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0990   -2.1830    2.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6107    1.9528   -0.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5460    2.0172   -0.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7887    3.4210    0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9668    2.3558    2.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4977    2.5678    0.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4989    1.8871   -1.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 14  5  1  0
 25 16  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  5 31  1  1
  6 32  1  1
  7 33  1  0
  9 34  1  6
 10 35  1  0
 10 36  1  0
 11 37  1  0
 12 38  1  1
 13 39  1  0
 14 40  1  6
 16 41  1  6
 18 42  1  6
 19 43  1  0
 19 44  1  0
 20 45  1  0
 21 46  1  6
 22 47  1  0
 23 48  1  1
 24 49  1  0
 25 50  1  1
 26 51  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Gal(b1-3)a-glcnac	ChEBI
WURCS=2.0/2,2,1/[a2122h-1a_1-5_2*ncc/3=o][a2112h-1b_1-5]/1-2/a3-b1	ChEBI
Gal-1,3-glcnac	MeSH
Galactosyl-1,3-N-acetylglucosamine	MeSH
2-acetamido-2-Deoxy-3-O-b-D-galactopyranosyl-D-glucose	HMDB
2-acetamido-2-Deoxy-3-O-beta-D-galactopyranosyl-D-glucopyranose	HMDB
2-acetamido-2-Deoxy-3-O-beta-D-galactopyranosyl-D-glucose	HMDB
2-acetamido-2-Deoxy-3-O-beta-delta-galactopyranosyl-delta-glucopyranose	HMDB
2-acetamido-2-Deoxy-3-O-beta-delta-galactopyranosyl-delta-glucose	HMDB
beta-D-Gal-(1->3)-D-glcnac	HMDB
beta-D-Galactopyranosyl-(1->3)-N-acetyl-D-glucosamine	HMDB
beta-delta-Gal-(1->3)-delta-glcnac	HMDB
beta-delta-Galactopyranosyl-(1->3)-N-acetyl-delta-glucosamine	HMDB
Gal(beta1-3)glcnac	HMDB
lacto-N-Biose	HMDB
O-beta-D-Galactopyranosyl-(1->3)-N-acetylglucosamine	HMDB
O-beta-delta-Galactopyranosyl-(1->3)-N-acetylglucosamine	HMDB
N-[(2S,3R,4R,5S,6R)-2,5-Dihydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]ethanimidate	Generator, HMDB
Lacto-N-biose I	MeSH

Chemical Formula

C₁₄H₂₅NO₁₁

Average Molecular Weight

383.3484

Monoisotopic Molecular Weight

383.142760647

IUPAC Name

N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide

Traditional Name

N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide

CAS Registry Number

50787-09-2

SMILES

CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13+,14+/m1/s1

InChI Key

HMQPEDMEOBLSQB-RCBHQUQDSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Acylaminosugars

Alternative Parents

Substituents

Acylaminosugar
N-acyl-alpha-hexosamine
Disaccharide
Glycosyl compound
O-glycosyl compound
Oxane
Acetamide
Carboxamide group
Hemiacetal
Secondary carboxylic acid amide
Secondary alcohol
Acetal
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Organic oxide
Organic nitrogen compound
Organopnictogen compound
Alcohol
Primary alcohol
Organonitrogen compound
Carbonyl group
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Endogenous (HMDB: HMDB0006575)

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

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

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

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

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

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	262 g/L	ALOGPS
logP	-2.8	ALOGPS
logP	-5	ChemAxon
logS	-0.17	ALOGPS
pKa (Strongest Acidic)	11.49	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	198.4 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	79.44 m³·mol⁻¹	ChemAxon
Polarizability	35.9 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
DarkChem	[M+H]+	183.089	31661259
DarkChem	[M-H]-	180.035	31661259
DeepCCS	[M+H]+	180.276	30932474
DeepCCS	[M-H]-	178.451	30932474
DeepCCS	[M-2H]-	211.954	30932474
DeepCCS	[M+Na]+	185.882	30932474
AllCCS	[M+H]+	186.5	32859911
AllCCS	[M+H-H2O]+	183.9	32859911
AllCCS	[M+NH4]+	188.9	32859911
AllCCS	[M+Na]+	189.6	32859911
AllCCS	[M-H]-	185.3	32859911
AllCCS	[M+Na-2H]-	185.0	32859911
AllCCS	[M+HCOO]-	184.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Lacto-N-biose I	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	4223.8	Standard polar	33892256
Lacto-N-biose I	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3110.7	Standard non polar	33892256
Lacto-N-biose I	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3309.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Lacto-N-biose I,1TMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3030.8	Semi standard non polar	33892256
Lacto-N-biose I,1TMS,isomer #2	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3014.5	Semi standard non polar	33892256
Lacto-N-biose I,1TMS,isomer #3	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3024.6	Semi standard non polar	33892256
Lacto-N-biose I,1TMS,isomer #4	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	3001.0	Semi standard non polar	33892256
Lacto-N-biose I,1TMS,isomer #5	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3018.1	Semi standard non polar	33892256
Lacto-N-biose I,1TMS,isomer #6	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3026.4	Semi standard non polar	33892256
Lacto-N-biose I,1TMS,isomer #7	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3035.6	Semi standard non polar	33892256
Lacto-N-biose I,1TMS,isomer #8	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2995.7	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2923.1	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #10	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2946.5	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #11	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2945.5	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #12	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2950.5	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #13	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2985.8	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #14	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	2927.2	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #15	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2939.1	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #16	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2940.3	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #17	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2942.8	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #18	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2960.4	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #19	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2949.5	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #2	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2917.2	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #20	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2936.0	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #21	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2939.2	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #22	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2974.5	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #23	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2961.8	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #24	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2958.1	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #25	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2960.0	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #26	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2958.6	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #27	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2959.2	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #28	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2967.2	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #3	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	2923.2	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #4	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2926.9	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #5	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2942.8	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #6	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2936.4	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #7	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2981.0	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #8	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2953.6	Semi standard non polar	33892256
Lacto-N-biose I,2TMS,isomer #9	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	2948.3	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2850.4	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #10	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2861.3	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #11	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2910.8	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #12	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2875.4	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #13	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2894.7	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #14	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2862.9	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #15	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2913.9	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #16	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2925.8	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #17	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2920.4	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #18	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2920.4	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #19	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2912.8	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #2	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	2837.9	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #20	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2932.5	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #21	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2923.5	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #22	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	2860.7	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #23	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2891.6	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #24	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2910.0	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #25	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2885.2	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #26	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2925.5	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #27	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2886.8	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #28	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2902.1	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #29	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2878.4	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #3	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2875.9	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #30	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2909.2	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #31	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2932.2	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #32	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2925.4	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #33	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2899.5	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #34	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2919.9	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #35	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2900.5	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #36	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2903.5	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #37	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2879.7	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #38	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2894.6	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #39	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2867.6	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #4	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2901.9	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #40	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2896.4	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #41	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2926.1	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #42	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2924.0	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #43	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2897.5	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #44	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2916.8	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #45	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2900.1	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #46	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2898.1	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #47	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2920.7	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #48	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2924.8	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #49	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2901.8	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #5	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2868.7	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #50	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2910.1	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #51	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2896.9	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #52	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2891.7	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #53	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2937.3	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #54	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2913.5	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #55	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2909.6	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #56	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2913.2	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #6	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2913.3	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #7	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	2827.7	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #8	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2872.8	Semi standard non polar	33892256
Lacto-N-biose I,3TMS,isomer #9	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2898.2	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	2832.7	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #10	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2932.4	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #11	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2919.8	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #12	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2898.3	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #13	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2911.6	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #14	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2915.4	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #15	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2885.1	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #16	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2869.6	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #17	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2898.9	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #18	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2850.6	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #19	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2868.9	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #2	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2875.8	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #20	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2914.1	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #21	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2902.2	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #22	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2899.2	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #23	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2894.2	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #24	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2915.0	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #25	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2886.5	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #26	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2923.4	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #27	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2928.2	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #28	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2898.6	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #29	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2903.8	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #3	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2913.7	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #30	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2903.7	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #31	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2881.9	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #32	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2923.7	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #33	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2937.7	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #34	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2923.7	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #35	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2922.8	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #36	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2889.8	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #37	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2910.4	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #38	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2874.6	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #39	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2884.0	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #4	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2854.6	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #40	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2935.3	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #41	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2923.2	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #42	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2892.2	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #43	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2913.8	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #44	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2906.3	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #45	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2879.4	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #46	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2926.7	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #47	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2933.9	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #48	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2889.2	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #49	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2912.5	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #5	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2886.7	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #50	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2898.7	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #51	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2877.3	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #52	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2932.4	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #53	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2914.9	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #54	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2901.5	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #55	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2896.6	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #56	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2919.6	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #57	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2931.0	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #58	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2879.8	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #59	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2902.6	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #6	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2882.3	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #60	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2885.3	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #61	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2858.4	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #62	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2911.0	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #63	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2905.4	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #64	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2889.3	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #65	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2890.0	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #66	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2928.9	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #67	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2907.7	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #68	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2908.2	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #69	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2890.4	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #7	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2902.3	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #70	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2912.2	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #8	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2866.8	Semi standard non polar	33892256
Lacto-N-biose I,4TMS,isomer #9	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2875.0	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2860.7	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #10	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2902.3	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #11	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2890.0	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #12	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2891.8	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #13	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2904.7	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #14	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2875.2	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #15	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2908.8	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #16	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2893.4	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #17	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2875.7	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #18	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2929.3	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #19	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2910.8	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #2	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2873.0	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #20	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2906.4	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #21	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2877.5	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #22	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2869.5	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #23	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2907.6	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #24	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2852.1	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #25	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2903.5	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #26	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2888.2	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #27	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2870.3	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #28	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2933.6	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #29	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2909.2	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #3	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2839.3	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #30	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2910.1	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #31	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2870.0	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #32	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2924.5	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #33	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2908.9	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #34	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2902.6	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #35	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2934.4	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #36	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2905.2	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #37	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2900.4	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #38	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2912.3	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #39	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2884.4	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #4	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2907.2	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #40	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2911.1	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #41	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2891.0	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #42	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2877.8	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #43	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2924.0	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #44	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2897.8	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #45	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2900.4	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #46	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2898.9	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #47	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2926.8	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #48	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2920.3	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #49	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2909.4	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #5	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2881.6	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #50	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2913.1	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #51	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2874.9	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #52	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2910.3	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #53	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2895.6	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #54	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2886.6	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #55	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2910.6	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #56	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2907.2	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #6	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2862.9	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #7	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2922.6	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #8	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2856.3	Semi standard non polar	33892256
Lacto-N-biose I,5TMS,isomer #9	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2920.7	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2869.8	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #10	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2916.0	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #11	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2867.6	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #12	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2928.3	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #13	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2908.3	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #14	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2910.9	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #15	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2931.0	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #16	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2857.4	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #17	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2930.1	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #18	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2907.2	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #19	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2907.1	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #2	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2846.8	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #20	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2931.1	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #21	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2924.4	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #22	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2871.5	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #23	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2940.2	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #24	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2916.2	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #25	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2918.2	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #26	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2932.3	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #27	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2924.4	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #28	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2921.0	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #3	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2926.2	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #4	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2854.0	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #5	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2920.1	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #6	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2907.9	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #7	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2856.7	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #8	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2943.3	Semi standard non polar	33892256
Lacto-N-biose I,6TMS,isomer #9	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2918.8	Semi standard non polar	33892256
Lacto-N-biose I,7TMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2873.9	Semi standard non polar	33892256
Lacto-N-biose I,7TMS,isomer #2	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2957.3	Semi standard non polar	33892256
Lacto-N-biose I,7TMS,isomer #3	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2935.7	Semi standard non polar	33892256
Lacto-N-biose I,7TMS,isomer #4	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2936.0	Semi standard non polar	33892256
Lacto-N-biose I,7TMS,isomer #5	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2948.8	Semi standard non polar	33892256
Lacto-N-biose I,7TMS,isomer #6	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2937.5	Semi standard non polar	33892256
Lacto-N-biose I,7TMS,isomer #7	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2937.0	Semi standard non polar	33892256
Lacto-N-biose I,7TMS,isomer #8	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2955.1	Semi standard non polar	33892256
Lacto-N-biose I,1TBDMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3262.1	Semi standard non polar	33892256
Lacto-N-biose I,1TBDMS,isomer #2	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3272.2	Semi standard non polar	33892256
Lacto-N-biose I,1TBDMS,isomer #3	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3270.4	Semi standard non polar	33892256
Lacto-N-biose I,1TBDMS,isomer #4	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O	3254.9	Semi standard non polar	33892256
Lacto-N-biose I,1TBDMS,isomer #5	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3265.2	Semi standard non polar	33892256
Lacto-N-biose I,1TBDMS,isomer #6	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3273.4	Semi standard non polar	33892256
Lacto-N-biose I,1TBDMS,isomer #7	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3280.0	Semi standard non polar	33892256
Lacto-N-biose I,1TBDMS,isomer #8	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3251.7	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3416.0	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #10	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3445.6	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #11	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3454.0	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #12	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3457.9	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #13	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3443.7	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #14	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O	3418.8	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #15	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3433.6	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #16	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3442.8	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #17	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3451.2	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #18	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3433.8	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #19	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3432.7	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #2	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3412.8	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #20	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3440.5	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #21	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3443.2	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #22	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3433.9	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #23	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3433.3	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #24	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3434.9	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #25	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3432.6	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #26	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3446.8	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #27	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	3428.0	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #28	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3443.2	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #3	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O	3409.0	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #4	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3419.0	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #5	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3428.9	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #6	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3437.8	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #7	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3439.3	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #8	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3438.5	Semi standard non polar	33892256
Lacto-N-biose I,2TBDMS,isomer #9	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O	3447.6	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3584.3	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #10	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3595.4	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #11	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3599.8	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #12	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3593.7	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #13	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3599.9	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #14	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3602.8	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #15	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3597.9	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #16	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3591.8	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #17	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3598.7	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #18	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3610.3	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #19	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3600.2	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #2	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O	3584.6	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #20	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	3608.9	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #21	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3616.8	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #22	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O	3594.1	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #23	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3593.1	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #24	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3605.6	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #25	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3609.3	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #26	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3601.7	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #27	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3605.4	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #28	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3611.2	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #29	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3615.1	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #3	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3586.3	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #30	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3594.0	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #31	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3593.0	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #32	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3597.7	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #33	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3600.3	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #34	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3601.2	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #35	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	3603.0	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #36	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3606.0	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #37	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3587.4	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #38	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3590.8	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #39	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3596.4	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #4	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3599.6	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #40	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3582.3	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #41	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3585.8	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #42	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3599.6	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #43	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3594.0	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #44	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3596.7	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #45	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	3595.4	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #46	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3604.6	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #47	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3599.7	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #48	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3607.5	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #49	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3592.7	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #5	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3597.8	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #50	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3599.9	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #51	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	3593.4	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #52	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3602.4	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #53	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3592.1	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #54	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	3588.8	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #55	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3596.2	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #56	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3589.4	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #6	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3598.7	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #7	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O	3570.6	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #8	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3584.5	Semi standard non polar	33892256
Lacto-N-biose I,3TBDMS,isomer #9	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3590.5	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O	3727.7	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #10	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3740.6	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #11	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3743.5	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #12	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3780.6	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #13	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3745.8	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #14	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	3786.6	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #15	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3780.5	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #16	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3730.0	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #17	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3735.2	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #18	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3739.2	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #19	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3755.8	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #2	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3735.8	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #20	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3730.9	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #21	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3736.9	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #22	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3788.2	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #23	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3739.7	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #24	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	3790.2	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #25	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3786.0	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #26	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3753.1	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #27	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3756.6	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #28	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3780.4	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #29	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3752.6	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #3	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3743.2	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #30	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	3789.6	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #31	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3783.5	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #32	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3744.9	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #33	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	3791.5	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #34	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3799.8	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #35	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3790.4	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #36	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3749.3	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #37	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3759.3	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #38	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3762.5	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #39	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3764.3	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #4	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3745.2	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #40	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3750.7	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #41	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3760.3	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #42	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3782.3	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #43	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3760.5	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #44	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	3787.6	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #45	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3782.2	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #46	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3766.7	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #47	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3774.3	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #48	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3773.0	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #49	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3765.3	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #5	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3764.5	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #50	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	3783.2	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #51	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3776.5	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #52	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3752.4	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #53	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	3782.3	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #54	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3790.0	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #55	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3776.1	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #56	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3751.7	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #57	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3762.6	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #58	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3769.4	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #59	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3754.8	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #6	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3741.5	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #60	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	3780.2	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #61	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3772.5	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #62	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3743.8	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #63	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	3775.7	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #64	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3785.5	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #65	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3773.5	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #66	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3769.0	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #67	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	3786.3	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #68	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3792.6	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #69	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3781.2	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #7	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3754.9	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #70	CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3774.8	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #8	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3750.2	Semi standard non polar	33892256
Lacto-N-biose I,4TBDMS,isomer #9	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3752.5	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (Non-derivatized) - 70eV, Positive	splash10-0i6u-5469000000-3f5d87773b03e0e41577	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (4 TMS) - 70eV, Positive	splash10-0a4i-5312219000-2c64c57b328a0b1fff50	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (TMS_2_18) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (TMS_3_11) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (TMS_3_26) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (TMS_3_40) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (TMS_3_43) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (TMS_3_45) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (TMS_3_46) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (TMS_4_5) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (TMS_4_19) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (TMS_4_22) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (TMS_4_24) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (TMS_4_25) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (TMS_4_39) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (TMS_4_42) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (TMS_4_44) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (TMS_4_45) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (TMS_4_58) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (TMS_4_60) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (TMS_4_61) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (TMS_4_63) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lacto-N-biose I GC-MS (TMS_4_64) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lacto-N-biose I 10V, Positive-QTOF	splash10-0g59-0179000000-d5ea44d8ddf372a227a1	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lacto-N-biose I 20V, Positive-QTOF	splash10-0uk9-0592000000-aa6850d3821e875d0640	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lacto-N-biose I 40V, Positive-QTOF	splash10-0wbc-6970000000-83ebad9d3c0abffafb5f	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lacto-N-biose I 10V, Negative-QTOF	splash10-0019-5439000000-a4953e312e6f556c26a0	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lacto-N-biose I 20V, Negative-QTOF	splash10-0mb9-4695000000-c50fccdafaac005888f2	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lacto-N-biose I 40V, Negative-QTOF	splash10-0pb9-9710000000-dd0428a0de4996296403	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lacto-N-biose I 10V, Negative-QTOF	splash10-01qc-3379000000-6360cd056e57de19096b	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lacto-N-biose I 20V, Negative-QTOF	splash10-0006-9235000000-a1029a4979a296de9278	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lacto-N-biose I 40V, Negative-QTOF	splash10-052f-9410000000-fd5f05316f3118e8e5bc	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lacto-N-biose I 10V, Positive-QTOF	splash10-00lr-0019000000-862dab97c3032d322ff6	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lacto-N-biose I 20V, Positive-QTOF	splash10-0ff0-2789000000-800e3413d7689dc82b51	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lacto-N-biose I 40V, Positive-QTOF	splash10-03di-9383000000-88cf8029126f1b7dbbb1	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023977

KNApSAcK ID

Not Available

Chemspider ID

4450965

KEGG Compound ID

C06372

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5288905

PDB ID

Not Available

ChEBI ID

145593

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Jain R K; Locke R D; Matta K L A convenient synthesis of lacto-N-biose I [beta-D-Gal p-(1-->3)-beta-D- Glc pNAc] linked oligosaccharides from phenyl O-(tetra-O-acetyl-beta-D- galactopyranosyl)-(1-->3)-4,6-di-O-acetyl-2-deoxy-2-phthalimido-1-thio- beta-D- glucopyranoside. Carbohydrate research (1993), 241 165-76.

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Kakuda S, Shiba T, Ishiguro M, Tagawa H, Oka S, Kajihara Y, Kawasaki T, Wakatsuki S, Kato R: Structural basis for acceptor substrate recognition of a human glucuronyltransferase, GlcAT-P, an enzyme critical in the biosynthesis of the carbohydrate epitope HNK-1. J Biol Chem. 2004 May 21;279(21):22693-703. Epub 2004 Mar 1. [PubMed:14993226 ]

Showing metabocard for Lacto-N-biose I (HMDB0006575)

MOL for HMDB0006575 (Lacto-N-biose I)

3D MOL for HMDB0006575 (Lacto-N-biose I)

3D SDF for HMDB0006575 (Lacto-N-biose I)

3D-SDF for HMDB0006575 (Lacto-N-biose I)

PDB for HMDB0006575 (Lacto-N-biose I)

3D PDB for HMDB0006575 (Lacto-N-biose I)

SMILES for HMDB0006575 (Lacto-N-biose I)

INCHI for HMDB0006575 (Lacto-N-biose I)

Structure for HMDB0006575 (Lacto-N-biose I)

3D Structure for HMDB0006575 (Lacto-N-biose I)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra