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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2012-09-12 03:19:10 UTC

Update Date

2022-09-22 18:34:58 UTC

HMDB ID

HMDB0041627

Secondary Accession Numbers

HMDB41627

Metabolite Identification

Common Name

beta-Lactose

Description

beta-Lactose, also known as galb1-4GLCB or b-D-lactose, belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. beta-Lactose is found, on average, in the highest concentration within a few different foods, such as baby food, dried milk, and whey and in a lower concentration in toffee, domestic pigs (Sus scrofa domestica), and liquorice. beta-Lactose has also been detected, but not quantified in, several different foods, such as atlantic halibuts (Hippoglossus hippoglossus), snails (Gastropoda), oats (Avena sativa), garfishes (Belone belone), and oyster mushrooms (Pleurotus ostreatus). This could make beta-lactose a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on beta-Lactose.

Structure

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

  Mrv1652306251823472D          

 33 34  0  0  1  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  1  0  0  0
  4  2  1  1  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  1  1  0  0  0  0
 14  2  1  0  0  0  0
  5 15  1  1  0  0  0
  6 16  1  6  0  0  0
  7 17  1  1  0  0  0
  8 18  1  6  0  0  0
  9 19  1  6  0  0  0
 11 20  1  1  0  0  0
 21  4  1  0  0  0  0
 21 11  1  0  0  0  0
 22  3  1  0  0  0  0
 22 12  1  0  0  0  0
 10 23  1  1  0  0  0
 12 23  1  1  0  0  0
  3 24  1  6  0  0  0
  4 25  1  6  0  0  0
  5 26  1  6  0  0  0
  6 27  1  6  0  0  0
  7 28  1  6  0  0  0
  8 29  1  1  0  0  0
  9 30  1  1  0  0  0
 10 31  1  1  0  0  0
 11 32  1  6  0  0  0
 12 33  1  6  0  0  0
M  END

HMDB0041627
     RDKit          3D
beta-Lactose
 45 46  0  0  0  0  0  0  0  0999 V2000
    1.7284   -2.6852   -0.8330 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2415   -2.3288    0.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6911   -0.8976    0.3222 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6579   -0.7710   -0.6682 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7473    0.4413   -1.2742 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0484    0.4819   -2.5033 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4584    1.6403   -0.4344 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6268    1.9848    0.2689 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2866    1.4542    0.4914 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4300    2.5169    0.3377 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6314    0.1187    0.1212 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5240   -0.1332    0.8738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6954   -0.1681    0.2529 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3410    1.0049    0.7822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5828    1.2095    0.2626 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6282    1.4904    1.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2869    2.6262    2.0760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0628    0.1273   -0.6495 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4272    0.3976   -0.9085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8889   -1.2072   -0.0071 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9311   -1.4515    0.8962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5423   -1.3182    0.6941 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0470   -2.5722    0.3944 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4965   -3.6530   -0.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5162   -2.4448    1.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -2.9725    0.5986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2393   -0.6567    1.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8289    0.5500   -1.5975 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2434   -0.4016   -2.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2902    2.5004   -1.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2810    2.3622   -0.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6868    1.3419    1.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7481    2.4028   -0.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3457    0.1824   -0.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7215   -0.0596   -0.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5477    2.1585   -0.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7747    0.5984    2.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6179    1.6940    0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5429    2.4787    3.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5637    0.2327   -1.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6523    0.0907   -1.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9086   -1.9662   -0.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6715   -1.8458    0.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6845   -1.3242    1.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7709   -3.2294    0.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 11  3  1  0
 22 13  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  1
  5 28  1  6
  6 29  1  0
  7 30  1  6
  8 31  1  0
  9 32  1  1
 10 33  1  0
 11 34  1  6
 13 35  1  6
 15 36  1  6
 16 37  1  0
 16 38  1  0
 17 39  1  0
 18 40  1  6
 19 41  1  0
 20 42  1  6
 21 43  1  0
 22 44  1  1
 23 45  1  0
M  END

  Mrv1652306251823472D          

 33 34  0  0  1  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  1  0  0  0
  4  2  1  1  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  1  1  0  0  0  0
 14  2  1  0  0  0  0
  5 15  1  1  0  0  0
  6 16  1  6  0  0  0
  7 17  1  1  0  0  0
  8 18  1  6  0  0  0
  9 19  1  6  0  0  0
 11 20  1  1  0  0  0
 21  4  1  0  0  0  0
 21 11  1  0  0  0  0
 22  3  1  0  0  0  0
 22 12  1  0  0  0  0
 10 23  1  1  0  0  0
 12 23  1  1  0  0  0
  3 24  1  6  0  0  0
  4 25  1  6  0  0  0
  5 26  1  6  0  0  0
  6 27  1  6  0  0  0
  7 28  1  6  0  0  0
  8 29  1  1  0  0  0
  9 30  1  1  0  0  0
 10 31  1  1  0  0  0
 11 32  1  6  0  0  0
 12 33  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0041627

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1

> <INCHI_KEY>
GUBGYTABKSRVRQ-DCSYEGIMSA-N

> <FORMULA>
C12H22O11

> <MOLECULAR_WEIGHT>
342.2965

> <EXACT_MASS>
342.116211546

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
30.98849534539174

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-3.01

> <JCHEM_LOGP>
-4.703374863666666

> <ALOGPS_LOGS>
0.23

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.173689317234608

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.254374125721942

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810835652988272

> <JCHEM_POLAR_SURFACE_AREA>
189.52999999999997

> <JCHEM_REFRACTIVITY>
68.3367

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.86e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
β-D-lactose

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0041627
     RDKit          3D
beta-Lactose
 45 46  0  0  0  0  0  0  0  0999 V2000
    1.7284   -2.6852   -0.8330 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2415   -2.3288    0.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6911   -0.8976    0.3222 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6579   -0.7710   -0.6682 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7473    0.4413   -1.2742 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0484    0.4819   -2.5033 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4584    1.6403   -0.4344 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6268    1.9848    0.2689 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2866    1.4542    0.4914 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4300    2.5169    0.3377 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6314    0.1187    0.1212 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5240   -0.1332    0.8738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6954   -0.1681    0.2529 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3410    1.0049    0.7822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5828    1.2095    0.2626 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6282    1.4904    1.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2869    2.6262    2.0760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0628    0.1273   -0.6495 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4272    0.3976   -0.9085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8889   -1.2072   -0.0071 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9311   -1.4515    0.8962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5423   -1.3182    0.6941 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0470   -2.5722    0.3944 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4965   -3.6530   -0.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5162   -2.4448    1.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -2.9725    0.5986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2393   -0.6567    1.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8289    0.5500   -1.5975 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2434   -0.4016   -2.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2902    2.5004   -1.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2810    2.3622   -0.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6868    1.3419    1.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7481    2.4028   -0.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3457    0.1824   -0.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7215   -0.0596   -0.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5477    2.1585   -0.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7747    0.5984    2.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6179    1.6940    0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5429    2.4787    3.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5637    0.2327   -1.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6523    0.0907   -1.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9086   -1.9662   -0.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6715   -1.8458    0.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6845   -1.3242    1.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7709   -3.2294    0.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 11  3  1  0
 22 13  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  1
  5 28  1  6
  6 29  1  0
  7 30  1  6
  8 31  1  0
  9 32  1  1
 10 33  1  0
 11 34  1  6
 13 35  1  6
 15 36  1  6
 16 37  1  0
 16 38  1  0
 17 39  1  0
 18 40  1  6
 19 41  1  0
 20 42  1  6
 21 43  1  0
 22 44  1  1
 23 45  1  0
M  END

HEADER    PROTEIN                                 25-JUN-18   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-JUN-18         0                                  
HETATM    1  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -1.334 -10.010   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       1.334 -11.550   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       4.001 -10.010   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   24  H   UNK     0       0.000  -1.540   0.000  0.00  0.00           H+0
HETATM   25  H   UNK     0       0.000  -6.160   0.000  0.00  0.00           H+0
HETATM   26  H   UNK     0      -2.667  -1.540   0.000  0.00  0.00           H+0
HETATM   27  H   UNK     0      -1.334  -3.850   0.000  0.00  0.00           H+0
HETATM   28  H   UNK     0      -1.334  -8.470   0.000  0.00  0.00           H+0
HETATM   29  H   UNK     0       0.000 -10.780   0.000  0.00  0.00           H+0
HETATM   30  H   UNK     0      -4.001  -3.850   0.000  0.00  0.00           H+0
HETATM   31  H   UNK     0       1.334  -8.470   0.000  0.00  0.00           H+0
HETATM   32  H   UNK     0       2.667 -10.780   0.000  0.00  0.00           H+0
HETATM   33  H   UNK     0      -2.667  -6.160   0.000  0.00  0.00           H+0
CONECT    1    3   13                                                       
CONECT    2    4   14                                                       
CONECT    3    1    5   22   24                                             
CONECT    4    2   10   21   25                                             
CONECT    5    3    6   15   26                                             
CONECT    6    5    9   16   27                                             
CONECT    7    8   10   17   28                                             
CONECT    8    7   11   18   29                                             
CONECT    9    6   12   19   30                                             
CONECT   10    4    7   23   31                                             
CONECT   11    8   20   21   32                                             
CONECT   12    9   22   23   33                                             
CONECT   13    1                                                            
CONECT   14    2                                                            
CONECT   15    5                                                            
CONECT   16    6                                                            
CONECT   17    7                                                            
CONECT   18    8                                                            
CONECT   19    9                                                            
CONECT   20   11                                                            
CONECT   21    4   11                                                       
CONECT   22    3   12                                                       
CONECT   23   10   12                                                       
CONECT   24    3                                                            
CONECT   25    4                                                            
CONECT   26    5                                                            
CONECT   27    6                                                            
CONECT   28    7                                                            
CONECT   29    8                                                            
CONECT   30    9                                                            
CONECT   31   10                                                            
CONECT   32   11                                                            
CONECT   33   12                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   68    0
END

COMPND    HMDB0041627
HETATM    1  O1  UNL     1       1.728  -2.685  -0.833  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.242  -2.329   0.387  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.691  -0.898   0.322  1.00  0.00           C  
HETATM    4  O2  UNL     1       3.658  -0.771  -0.668  1.00  0.00           O  
HETATM    5  C3  UNL     1       3.747   0.441  -1.274  1.00  0.00           C  
HETATM    6  O3  UNL     1       3.048   0.482  -2.503  1.00  0.00           O  
HETATM    7  C4  UNL     1       3.458   1.640  -0.434  1.00  0.00           C  
HETATM    8  O4  UNL     1       4.627   1.985   0.269  1.00  0.00           O  
HETATM    9  C5  UNL     1       2.287   1.454   0.491  1.00  0.00           C  
HETATM   10  O5  UNL     1       1.430   2.517   0.338  1.00  0.00           O  
HETATM   11  C6  UNL     1       1.631   0.119   0.121  1.00  0.00           C  
HETATM   12  O6  UNL     1       0.524  -0.133   0.874  1.00  0.00           O  
HETATM   13  C7  UNL     1      -0.695  -0.168   0.253  1.00  0.00           C  
HETATM   14  O7  UNL     1      -1.341   1.005   0.782  1.00  0.00           O  
HETATM   15  C8  UNL     1      -2.583   1.210   0.263  1.00  0.00           C  
HETATM   16  C9  UNL     1      -3.628   1.490   1.349  1.00  0.00           C  
HETATM   17  O8  UNL     1      -3.287   2.626   2.076  1.00  0.00           O  
HETATM   18  C10 UNL     1      -3.063   0.127  -0.649  1.00  0.00           C  
HETATM   19  O9  UNL     1      -4.427   0.398  -0.909  1.00  0.00           O  
HETATM   20  C11 UNL     1      -2.889  -1.207  -0.007  1.00  0.00           C  
HETATM   21  O10 UNL     1      -3.931  -1.451   0.896  1.00  0.00           O  
HETATM   22  C12 UNL     1      -1.542  -1.318   0.694  1.00  0.00           C  
HETATM   23  O11 UNL     1      -1.047  -2.572   0.394  1.00  0.00           O  
HETATM   24  H1  UNL     1       1.496  -3.653  -0.817  1.00  0.00           H  
HETATM   25  H2  UNL     1       1.516  -2.445   1.202  1.00  0.00           H  
HETATM   26  H3  UNL     1       3.142  -2.972   0.599  1.00  0.00           H  
HETATM   27  H4  UNL     1       3.239  -0.657   1.290  1.00  0.00           H  
HETATM   28  H5  UNL     1       4.829   0.550  -1.597  1.00  0.00           H  
HETATM   29  H6  UNL     1       3.243  -0.402  -2.929  1.00  0.00           H  
HETATM   30  H7  UNL     1       3.290   2.500  -1.147  1.00  0.00           H  
HETATM   31  H8  UNL     1       5.281   2.362  -0.380  1.00  0.00           H  
HETATM   32  H9  UNL     1       2.687   1.342   1.518  1.00  0.00           H  
HETATM   33  H10 UNL     1       0.748   2.403  -0.342  1.00  0.00           H  
HETATM   34  H11 UNL     1       1.346   0.182  -0.945  1.00  0.00           H  
HETATM   35  H12 UNL     1      -0.722  -0.060  -0.824  1.00  0.00           H  
HETATM   36  H13 UNL     1      -2.548   2.158  -0.340  1.00  0.00           H  
HETATM   37  H14 UNL     1      -3.775   0.598   2.009  1.00  0.00           H  
HETATM   38  H15 UNL     1      -4.618   1.694   0.892  1.00  0.00           H  
HETATM   39  H16 UNL     1      -3.543   2.479   3.015  1.00  0.00           H  
HETATM   40  H17 UNL     1      -2.564   0.233  -1.636  1.00  0.00           H  
HETATM   41  H18 UNL     1      -4.652   0.091  -1.840  1.00  0.00           H  
HETATM   42  H19 UNL     1      -2.909  -1.966  -0.812  1.00  0.00           H  
HETATM   43  H20 UNL     1      -4.672  -1.846   0.358  1.00  0.00           H  
HETATM   44  H21 UNL     1      -1.685  -1.324   1.808  1.00  0.00           H  
HETATM   45  H22 UNL     1      -1.771  -3.229   0.169  1.00  0.00           H  
CONECT    1    2   24
CONECT    2    3   25   26
CONECT    3    4   11   27
CONECT    4    5
CONECT    5    6    7   28
CONECT    6   29
CONECT    7    8    9   30
CONECT    8   31
CONECT    9   10   11   32
CONECT   10   33
CONECT   11   12   34
CONECT   12   13
CONECT   13   14   22   35
CONECT   14   15
CONECT   15   16   18   36
CONECT   16   17   37   38
CONECT   17   39
CONECT   18   19   20   40
CONECT   19   41
CONECT   20   21   22   42
CONECT   21   43
CONECT   22   23   44
CONECT   23   45
END

HMDB0041627
     RDKit          3D
beta-Lactose
 45 46  0  0  0  0  0  0  0  0999 V2000
    1.7284   -2.6852   -0.8330 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2415   -2.3288    0.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6911   -0.8976    0.3222 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6579   -0.7710   -0.6682 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7473    0.4413   -1.2742 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0484    0.4819   -2.5033 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4584    1.6403   -0.4344 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6268    1.9848    0.2689 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2866    1.4542    0.4914 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4300    2.5169    0.3377 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6314    0.1187    0.1212 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5240   -0.1332    0.8738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6954   -0.1681    0.2529 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3410    1.0049    0.7822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5828    1.2095    0.2626 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6282    1.4904    1.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2869    2.6262    2.0760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0628    0.1273   -0.6495 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4272    0.3976   -0.9085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8889   -1.2072   -0.0071 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9311   -1.4515    0.8962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5423   -1.3182    0.6941 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0470   -2.5722    0.3944 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4965   -3.6530   -0.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5162   -2.4448    1.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -2.9725    0.5986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2393   -0.6567    1.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8289    0.5500   -1.5975 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2434   -0.4016   -2.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2902    2.5004   -1.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2810    2.3622   -0.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6868    1.3419    1.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7481    2.4028   -0.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3457    0.1824   -0.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7215   -0.0596   -0.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5477    2.1585   -0.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7747    0.5984    2.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6179    1.6940    0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5429    2.4787    3.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5637    0.2327   -1.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6523    0.0907   -1.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9086   -1.9662   -0.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6715   -1.8458    0.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6845   -1.3242    1.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7709   -3.2294    0.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 11  3  1  0
 22 13  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  1
  5 28  1  6
  6 29  1  0
  7 30  1  6
  8 31  1  0
  9 32  1  1
 10 33  1  0
 11 34  1  6
 13 35  1  6
 15 36  1  6
 16 37  1  0
 16 38  1  0
 17 39  1  0
 18 40  1  6
 19 41  1  0
 20 42  1  6
 21 43  1  0
 22 44  1  1
 23 45  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
4-O-beta-D-Galactopyranosyl-beta-D-glucopyranose	ChEBI
beta-D-Galactopyranosyl-(1->4)-beta-D-glucose	ChEBI
beta-D-Galp-(1->4)-beta-D-GLCP	ChEBI
beta-D-Lactose	ChEBI
Galb1-4GLCB	ChEBI
Galbeta1-4glcbeta	ChEBI
LACTOSE	ChEBI
WURCS=2.0/2,2,1/[a2122h-1b_1-5][a2112h-1b_1-5]/1-2/a4-b1	ChEBI
4-O-b-D-Galactopyranosyl-b-D-glucopyranose	Generator
4-O-Β-D-galactopyranosyl-β-D-glucopyranose	Generator
b-D-Galactopyranosyl-(1->4)-b-D-glucose	Generator
Β-D-galactopyranosyl-(1->4)-β-D-glucose	Generator
b-D-Galp-(1->4)-b-D-GLCP	Generator
Β-D-galp-(1->4)-β-D-GLCP	Generator
b-D-Lactose	Generator
Β-D-lactose	Generator
b-Lactose	Generator
Β-lactose	Generator
beta-D-Galactopyranosyl-(1->4)-beta-D-glucopyranose	HMDB
Anhydrous lactose	MeSH
Lactose, anhydrous	MeSH

Chemical Formula

C₁₂H₂₂O₁₁

Average Molecular Weight

342.2965

Monoisotopic Molecular Weight

342.116211546

IUPAC Name

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

Traditional Name

β-D-lactose

CAS Registry Number

5965-66-2

SMILES

OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O

InChI Identifier

InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1

InChI Key

GUBGYTABKSRVRQ-DCSYEGIMSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

O-glycosyl compound
Disaccharide
Oxane
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

lactose (CHEBI:36218 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0041627)
Cytoplasm (HMDB: HMDB0041627)

Source

Exogenous

Exogenous (HMDB: HMDB0041627)

Food

Food (HMDB: HMDB0041627)

Beverage

Fermented beverage

Beer (FooDB: FOOD00268)
Grape wine (FooDB: FOOD00612)

Distilled beverage

Spirit (FooDB: FOOD00276)
Liquor (FooDB: FOOD00616)
Whisky (FooDB: FOOD00623)

Other beverage

Fortified wines

Sherry (FooDB: FOOD00632)
Vermouth (FooDB: FOOD00631)

Water

Water (FooDB: FOOD00664)

Alcoholic beverage

Other alcoholic beverage (FooDB: FOOD00278)

Herb and spice

Herb

Spice

Herb and spice mixture

Curry powder (FooDB: FOOD00678)

Anchovy (FooDB: FOOD00566)
Blue whiting (FooDB: FOOD00567)
Carp bream (FooDB: FOOD00568)
Clupeinae (Herring, Sardine, Sprat) (FooDB: FOOD00520)
Burbot (FooDB: FOOD00313)
Sturgeon (FooDB: FOOD00570)
Charr (FooDB: FOOD00571)
Gadus (Common cod) (FooDB: FOOD00515)
Common dab (FooDB: FOOD00574)
Spiny dogfish (FooDB: FOOD00575)
Anguilliformes (FooDB: FOOD00577)
Flatfish (FooDB: FOOD00535)
Garfish (FooDB: FOOD00579)
Haddock (FooDB: FOOD00374)
Gadiformes (FooDB: FOOD00580)
Atlantic halibut (FooDB: FOOD00516)
Greenland halibut/turbot (FooDB: FOOD00370)
Lake trout (FooDB: FOOD00582)
Lemon sole (FooDB: FOOD00583)
Common ling (FooDB: FOOD00397)
Lumpsucker (FooDB: FOOD00585)
Scombridae (Bonito, Mackerel, Tuna) (FooDB: FOOD00586)
Norway haddock (FooDB: FOOD00588)
Norway pout (FooDB: FOOD00590)
Perciformes (FooDB: FOOD00527)
Northern pike (FooDB: FOOD00431)
Pikeperch (FooDB: FOOD00595)
Pleuronectidae (Dab, Halibut, Plaice) (FooDB: FOOD00596)
Pollock (FooDB: FOOD00513)
Rainbow trout (FooDB: FOOD00444)
Pacific ocean perch (FooDB: FOOD00598)
Salmonidae (Salmon, Trout) (FooDB: FOOD00493)
Catfish (FooDB: FOOD00605)
Thunnus (FooDB: FOOD00607)
Turbot (FooDB: FOOD00364)
Whitefish (FooDB: FOOD00503)
Whiting (FooDB: FOOD00504)
Atlantic wolffish (FooDB: FOOD00296)

Crustacean

Fish product

Other fish product (FooDB: FOOD00665)

Amphibian

True frog (FooDB: FOOD00578)

Mollusk

Pinniped

True seal (FooDB: FOOD00600)

Seaweed

Kombu (FooDB: FOOD00602)
Agar (FooDB: FOOD00284)

Cetacean

Cetacea (Dolphin, Porpoise, Whale) (FooDB: FOOD00609)

Fruit

Pome

Drupe

Apricot (FooDB: FOOD00144)
Prunus (Cherry, Plum) (FooDB: FOOD00143)
Nectarine (FooDB: FOOD00229)
Peach (FooDB: FOOD00149)
European plum (FooDB: FOOD00147)

Berry

Bilberry (FooDB: FOOD00193)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Elderberry (FooDB: FOOD00358)
Gooseberry (FooDB: FOOD00157)
Grape (FooDB: FOOD00369)
Lingonberry (FooDB: FOOD00194)
Loganberry (FooDB: FOOD00400)
Strawberry (FooDB: FOOD00083)

Tropical fruit

Other fruit

Date (FooDB: FOOD00135)
Fig (FooDB: FOOD00081)

Fruit product

Other fruit product (FooDB: FOOD00765)
Fruit preserve (FooDB: FOOD00660)

Citrus

Grapefruit (FooDB: FOOD00256)
Lemon (FooDB: FOOD00054)
Lime (FooDB: FOOD00053)
Sweet orange (FooDB: FOOD00057)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)

Onion-family vegetable

Leek (FooDB: FOOD00007)
Allium (FooDB: FOOD00005)

Other vegetable

Okra (FooDB: FOOD00420)

Stalk vegetable

Garden rhubarb (FooDB: FOOD00154)

Baby food

Baby food (FooDB: FOOD00668)

Animal origin

Swine

Domestic pig (FooDB: FOOD00536)

Bovine

Cattle (Beef, Veal) (FooDB: FOOD00495)

Poultry

Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Turkey (FooDB: FOOD00494)
Chicken (FooDB: FOOD00329)

Lagomorph

Mountain hare (FooDB: FOOD00581)
Rabbit (FooDB: FOOD00528)

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Cereal and cereal product

Other bread

Other bread (FooDB: FOOD00269)

Leavened bread

Wheat bread (FooDB: FOOD00808)
Rye bread (FooDB: FOOD00809)

Cereal

Barley (FooDB: FOOD00088)
Common buckwheat (FooDB: FOOD00079)
Corn (FooDB: FOOD00205)
Millet (FooDB: FOOD00126)
Oat (FooDB: FOOD00022)
Rice (FooDB: FOOD00125)
Rye (FooDB: FOOD00169)
Wheat (FooDB: FOOD00561)
Hard wheat (FooDB: FOOD00242)
White bread (FooDB: FOOD00987)

Cereal product

Bread products

Other bread product (FooDB: FOOD00805)

Flat bread

Crisp bread (FooDB: FOOD00640)

Baking good

Sugar

Sugar (FooDB: FOOD00651)

Dressing

Salad dressing (FooDB: FOOD00645)

Condiment

Substitute

Sugar substitute (FooDB: FOOD00656)

Seasoning

Salt (FooDB: FOOD00647)

Sauce

Sauce (FooDB: FOOD00646)

Pulse

Bean

Lentil

Lentils (FooDB: FOOD00098)

Pea

Chickpea (FooDB: FOOD00047)
Common pea (FooDB: FOOD00141)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Miso (FooDB: FOOD00695)
Soy milk (FooDB: FOOD00736)
Soy sauce (FooDB: FOOD00694)
Tofu (FooDB: FOOD00696)

Unclassified food or beverage

Unclassified food or beverage (FooDB: FOOD00672)

Dish

Ground meat

Sausage (FooDB: FOOD00652)
Meatball (FooDB: FOOD00653)
Pate (FooDB: FOOD00655)
Cold cut (FooDB: FOOD00770)

Other dish

Dumpling (FooDB: FOOD00669)
Other dish (FooDB: FOOD00836)
Pizza (FooDB: FOOD00637)
Soup (FooDB: FOOD00670)

Fat and oil

Vegetable fat

Margarine-like spread (FooDB: FOOD00844)
Margarine (FooDB: FOOD00843)

Animal fat

Fish oil (FooDB: FOOD00990)

Milk and milk product

Other milk product

Butter (FooDB: FOOD00648)
Casein (FooDB: FOOD00659)
Whey (FooDB: FOOD00658)
Cream (FooDB: FOOD00650)
Dried milk (FooDB: FOOD00689)

Fermented milk product

Cheese (FooDB: FOOD00617)
Yogurt (FooDB: FOOD00620)
Ymer (FooDB: FOOD00638)

Pastry (FooDB: FOOD00641)
Gelatin dessert (FooDB: FOOD00725)

Frozen dessert

Ice cream (FooDB: FOOD00624)
Other frozen dessert (FooDB: FOOD00729)

Other confectionery

Spread

Chocolate spread (FooDB: FOOD00676)

Cocoa and cocoa product

Cocoa product

Coffee and coffee product

Coffee

Snack

Cracker (FooDB: FOOD00787)
Other snack food (FooDB: FOOD00639)

Egg

Eggs (FooDB: FOOD00619)

Not Available

Nutrient (HMDB: HMDB0041627)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	586 g/L	ALOGPS
logP	-3	ALOGPS
logP	-4.7	ChemAxon
logS	0.23	ALOGPS
pKa (Strongest Acidic)	11.25	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	189.53 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	68.34 m³·mol⁻¹	ChemAxon
Polarizability	30.99 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]+	174.276	31661259
DarkChem	[M-H]-	169.517	31661259
DeepCCS	[M+H]+	174.062	30932474
DeepCCS	[M-H]-	171.919	30932474
DeepCCS	[M-2H]-	205.325	30932474
DeepCCS	[M+Na]+	179.849	30932474
AllCCS	[M+H]+	178.1	32859911
AllCCS	[M+H-H2O]+	175.2	32859911
AllCCS	[M+NH4]+	180.9	32859911
AllCCS	[M+Na]+	181.7	32859911
AllCCS	[M-H]-	174.4	32859911
AllCCS	[M+Na-2H]-	173.9	32859911
AllCCS	[M+HCOO]-	173.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
beta-Lactose	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O	3876.3	Standard polar	33892256
beta-Lactose	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O	3234.2	Standard non polar	33892256
beta-Lactose	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O	2939.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
beta-Lactose,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O	2784.2	Semi standard non polar	33892256
beta-Lactose,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2790.8	Semi standard non polar	33892256
beta-Lactose,1TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O	2785.3	Semi standard non polar	33892256
beta-Lactose,1TMS,isomer #4	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	2809.6	Semi standard non polar	33892256
beta-Lactose,1TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2802.6	Semi standard non polar	33892256
beta-Lactose,1TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O	2787.1	Semi standard non polar	33892256
beta-Lactose,1TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O	2784.3	Semi standard non polar	33892256
beta-Lactose,1TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	2776.5	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	2814.6	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	2789.3	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	2781.6	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O	2776.0	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O	2774.6	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #14	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O	2777.7	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)[C@@H]1O	2771.1	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #16	C[Si](C)(C)O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@@H]1O	2775.0	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	2790.7	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #18	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	2793.5	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2808.5	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O	2805.0	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #20	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	2798.1	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H]1O	2790.1	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #22	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	2801.4	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	2800.5	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	2788.6	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	2796.4	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #26	C[Si](C)(C)O[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O	2774.3	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #27	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C	2782.6	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #28	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	2784.1	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O	2775.6	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	2776.8	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2780.2	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2778.5	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2796.3	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2785.8	Semi standard non polar	33892256
beta-Lactose,2TMS,isomer #9	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	2796.3	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[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	2681.4	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2679.0	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2697.5	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O	2676.5	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2682.6	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2674.6	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2693.0	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2660.3	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2664.1	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2681.5	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2663.4	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	2685.2	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2696.8	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2670.8	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #22	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2710.7	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	2689.3	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #24	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2719.7	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #25	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)[C@@H]1O	2706.3	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #26	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2699.7	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #27	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[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	2687.0	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #28	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	2720.1	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #29	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O	2697.4	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	2670.8	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #30	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2702.9	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #31	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	2682.3	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #32	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	2678.8	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #33	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	2670.0	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #34	C[Si](C)(C)O[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O	2700.2	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #35	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2706.5	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #36	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2685.6	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #37	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O)[C@H]1O[Si](C)(C)C	2711.0	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #38	C[Si](C)(C)O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O	2707.2	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #39	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	2696.3	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	2692.3	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #40	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	2727.2	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #41	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO)[C@@H]1O	2706.1	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #42	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	2688.1	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #43	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)[C@@H]1O[Si](C)(C)C	2700.3	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #44	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2717.2	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #45	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	2693.3	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #46	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2681.5	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #47	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[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	2694.2	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #48	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[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	2687.0	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #49	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[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	2695.2	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2678.2	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #50	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@H]1O	2719.4	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #51	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	2723.8	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #52	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C	2709.6	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #53	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	2680.7	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #54	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	2691.2	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #55	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	2678.2	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #56	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)O[C@@H]1CO	2689.9	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	2679.3	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O	2679.2	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	2685.6	Semi standard non polar	33892256
beta-Lactose,3TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2693.0	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2619.9	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2585.5	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2612.7	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2609.9	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	2623.0	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	2626.9	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2604.8	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O	2634.1	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2619.1	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2635.9	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2630.7	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	2613.3	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2604.3	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2628.5	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2620.9	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2610.9	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2631.9	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2631.9	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2614.3	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #27	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2643.8	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #28	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2628.6	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #29	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2638.8	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[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	2618.8	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #30	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2654.8	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #31	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2652.3	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #32	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2604.7	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #33	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2620.9	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #34	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2625.9	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #35	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2626.1	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #36	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2632.5	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #37	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2654.4	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #38	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO)[C@@H]1O	2670.3	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #39	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2643.5	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2614.8	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #40	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	2623.0	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #41	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	2643.3	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #42	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	2615.1	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #43	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)O[C@H](CO)[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	2683.9	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #44	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)O[C@H](CO)[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	2660.8	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #45	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)[C@@H]1O[Si](C)(C)C	2665.3	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #46	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[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	2616.5	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #47	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[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	2633.3	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #48	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[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	2605.6	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #49	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	2668.4	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[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	2606.2	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #50	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2644.7	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #51	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2646.5	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #52	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	2623.6	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #53	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	2606.1	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #54	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	2601.1	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #55	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	2630.1	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #56	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	2677.6	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #57	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	2656.7	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #58	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)O[C@@H]1CO	2669.7	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #59	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2659.2	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	2620.7	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #60	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	2645.1	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #61	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2620.7	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #62	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2635.3	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #63	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2656.9	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #64	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	2640.4	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #65	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2617.3	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #66	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[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	2624.4	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #67	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[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	2614.2	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #68	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[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	2607.7	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #69	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@@H]1CO	2637.2	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	2632.0	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #70	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	2623.8	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2640.5	Semi standard non polar	33892256
beta-Lactose,4TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	2625.1	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	2629.2	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2594.9	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2597.7	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2622.2	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	2612.4	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	2646.3	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	2646.1	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2634.0	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2595.9	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2609.2	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2614.9	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2611.3	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2625.8	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2630.1	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2646.8	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2650.2	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2630.5	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2639.9	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2643.7	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #27	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2615.2	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #28	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2624.7	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #29	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2637.4	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2620.1	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #30	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2630.1	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #31	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2637.8	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #32	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2646.8	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #33	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2652.5	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #34	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2665.6	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #35	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[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	2635.7	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #36	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2647.2	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #37	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2656.0	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #38	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2631.2	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #39	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2675.3	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2602.0	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #40	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2649.5	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #41	C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2656.2	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #42	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	2652.8	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #43	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	2621.1	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #44	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	2631.3	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #45	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)O[C@@H]1CO	2661.7	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #46	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[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	2638.1	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #47	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[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	2607.8	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #48	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[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	2613.6	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #49	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	2650.0	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2582.4	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #50	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	2633.2	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #51	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2644.0	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #52	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO)O[C@@H]1CO	2663.7	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #53	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	2659.7	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #54	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2620.7	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #55	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2626.6	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #56	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[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	2634.1	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2613.9	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2599.8	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[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	2609.3	Semi standard non polar	33892256
beta-Lactose,5TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[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	2601.6	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2618.4	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2618.8	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2614.4	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2620.8	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2634.3	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO[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	2635.5	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](O)[C@H]2O[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	2618.7	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2632.2	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2636.6	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2658.1	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2644.7	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2637.0	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[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	2621.8	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2635.3	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2662.0	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2636.5	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2634.8	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO)O[C@@H]1CO	2662.9	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	2637.7	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #27	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[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	2629.4	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #28	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2650.2	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2642.1	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2638.0	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2623.0	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2623.5	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2600.9	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2607.3	Semi standard non polar	33892256
beta-Lactose,6TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2626.6	Semi standard non polar	33892256
beta-Lactose,7TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2646.1	Semi standard non polar	33892256
beta-Lactose,7TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2657.6	Semi standard non polar	33892256
beta-Lactose,7TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2671.2	Semi standard non polar	33892256
beta-Lactose,7TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2661.4	Semi standard non polar	33892256
beta-Lactose,7TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[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	2647.5	Semi standard non polar	33892256
beta-Lactose,7TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO[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	2652.5	Semi standard non polar	33892256
beta-Lactose,7TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]2CO)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2656.5	Semi standard non polar	33892256
beta-Lactose,7TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[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	2652.5	Semi standard non polar	33892256
beta-Lactose,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O	3021.0	Semi standard non polar	33892256
beta-Lactose,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3038.0	Semi standard non polar	33892256
beta-Lactose,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O	3022.2	Semi standard non polar	33892256
beta-Lactose,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	3040.0	Semi standard non polar	33892256
beta-Lactose,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3039.3	Semi standard non polar	33892256
beta-Lactose,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O	3043.4	Semi standard non polar	33892256
beta-Lactose,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O	3036.1	Semi standard non polar	33892256
beta-Lactose,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	3029.3	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	3246.7	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	3251.6	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3257.2	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	3247.3	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O	3263.1	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O	3245.9	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]2CO)[C@@H]1O	3242.8	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@@H]1O	3255.7	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	3248.4	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3248.0	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3260.0	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O	3253.9	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	3265.0	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H]1O	3257.0	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3278.7	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	3267.6	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	3257.1	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	3269.7	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3244.3	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	3254.7	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3248.2	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O	3229.8	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	3235.7	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3251.9	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3243.6	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3251.1	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3255.9	Semi standard non polar	33892256
beta-Lactose,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3248.3	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[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	3392.8	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3399.9	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3406.1	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O	3394.6	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3412.3	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3400.4	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3404.3	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3409.2	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3390.8	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3396.0	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3393.4	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	3395.1	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3396.2	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3395.1	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3426.3	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	3414.7	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@H](CO)[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	3422.5	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]2CO)[C@@H]1O	3422.4	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@H](CO)[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	3432.4	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[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	3401.6	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3412.8	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	3410.8	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	3383.6	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3427.3	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	3402.7	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	3402.6	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	3416.6	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3405.4	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3397.6	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3410.9	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3407.5	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]2CO)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3411.3	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	3417.8	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	3403.4	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3412.1	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H]2CO)[C@@H]1O	3409.0	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	3420.7	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]2CO)[C@@H]1O[Si](C)(C)C(C)(C)C	3419.6	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3427.7	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	3430.7	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[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	3398.6	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[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	3410.0	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[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	3409.1	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[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	3429.8	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3395.3	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[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]2O)[C@H](O)[C@H]1O	3411.0	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3417.7	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	3423.9	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	3401.3	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	3403.1	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	3410.6	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)O[C@@H]1CO	3405.9	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	3407.5	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O	3387.6	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	3386.0	Semi standard non polar	33892256
beta-Lactose,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3421.6	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[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	3520.0	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3543.5	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3535.5	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3533.0	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	3546.2	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	3546.1	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3544.9	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[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)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O	3541.0	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H]2CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3548.7	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H]2CO)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3546.1	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3544.5	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	3526.1	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3552.7	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3548.0	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3544.4	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3553.1	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3555.5	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3554.7	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3554.3	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3555.1	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3550.8	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3559.1	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[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	3536.7	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3561.2	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3561.6	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[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	3547.3	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[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	3551.2	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[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	3548.3	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[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	3552.5	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[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[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3555.3	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3568.2	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O[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)O[C@@H]2CO)[C@@H]1O	3573.9	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[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	3572.5	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3540.0	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	3558.5	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	3566.9	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	3567.1	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@H](CO)[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	3565.5	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@H](CO)[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	3568.4	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]2CO)[C@@H]1O[Si](C)(C)C(C)(C)C	3574.9	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[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	3547.3	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[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	3553.5	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[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	3559.1	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[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]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3557.1	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[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	3546.9	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3558.4	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #51	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3565.7	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	3539.4	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	3541.3	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	3545.5	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #55	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3547.2	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #56	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[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]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3555.7	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	3563.4	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #58	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]2CO)O[C@@H]1CO	3570.2	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #59	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3557.4	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]2CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	3538.2	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #60	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	3562.9	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[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	3539.9	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[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	3546.7	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #63	CC(C)(C)[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3564.0	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #64	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	3569.0	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[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	3547.7	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #66	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[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	3543.3	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #67	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[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	3543.8	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #68	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[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	3550.1	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #69	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@@H]1CO	3558.0	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	3549.7	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #70	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[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	3545.2	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@@H]2CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3555.7	Semi standard non polar	33892256
beta-Lactose,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O[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	3559.5	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - beta-Lactose GC-MS (1 MEOX; 8 TMS)	splash10-0gb9-1983000000-e184694c56f5ca3eaf44	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - beta-Lactose GC-MS (1 MEOX; 8 TMS)	splash10-0uxr-1983000000-6d13b583508b156699cb	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-Lactose GC-MS (Non-derivatized) - 70eV, Positive	splash10-03e9-4897000000-332d470623cd7f1e1ced	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-Lactose GC-MS (4 TMS) - 70eV, Positive	splash10-014i-2421129000-d695c36163c25ae6aca5	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-Lactose GC-MS (TBDMS_3_3) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-Lactose GC-MS (TBDMS_3_16) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-Lactose GC-MS (TBDMS_4_2) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-Lactose GC-MS (TBDMS_4_10) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-Lactose GC-MS (TBDMS_4_11) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-Lactose GC-MS (TBDMS_4_12) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-Lactose GC-MS (TBDMS_4_20) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-Lactose GC-MS (TBDMS_4_32) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-Lactose GC-MS (TBDMS_4_33) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-Lactose GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-Lactose GC-MS ("beta-Lactose,3TBDMS,#3" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - beta-Lactose 20V, Positive-QTOF	splash10-000i-9100000000-9a953ebc91e4edf920ac	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - beta-Lactose 40V, Positive-QTOF	splash10-01p2-9000000000-002a29d6bc3af2fccf2d	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - beta-Lactose 40V, Negative-QTOF	splash10-0ab9-9000000000-63c1a668c28c4930fd73	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - beta-Lactose 10V, Negative-QTOF	splash10-0ik9-3900000000-9def22a0ab461bd506b2	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - beta-Lactose 20V, Positive-QTOF	splash10-000l-9200000000-fe0dac6fd4a7027a6423	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - beta-Lactose 10V, Positive-QTOF	splash10-03dj-4900000000-1eaaabd36b613c13f265	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - beta-Lactose 10V, Positive-QTOF	splash10-03ds-4900000000-fa686c9f431f66c93888	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - beta-Lactose 40V, Positive-QTOF	splash10-03dr-9100000000-02b8f071c2822c0aa229	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - beta-Lactose 20V, Negative-QTOF	splash10-0fe0-9500000000-452cd26fddfe9b72a384	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Lactose 10V, Positive-QTOF	splash10-03gl-0907000000-a1de7813fbe8b5258c10	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Lactose 20V, Positive-QTOF	splash10-03e9-0900000000-79cc5059a3f338e8c1dd	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Lactose 40V, Positive-QTOF	splash10-03di-3900000000-851d0bc84d91b6e09579	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Lactose 10V, Negative-QTOF	splash10-002f-0749000000-af1d18f2bc3ab8e02883	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Lactose 20V, Negative-QTOF	splash10-0200-2902000000-67218697344afb9e70fa	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Lactose 40V, Negative-QTOF	splash10-01td-4900000000-40aa2d8125769803cfbb	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Lactose 10V, Positive-QTOF	splash10-0006-0109000000-9d0f9a68a67bafd734ab	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Lactose 20V, Positive-QTOF	splash10-01rw-3898000000-7f495a1bcfdbed6466c4	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Lactose 40V, Positive-QTOF	splash10-01ti-9210000000-b8a83657f0266d372bee	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Lactose 10V, Negative-QTOF	splash10-000x-1069000000-9cd867711bca0eecf935	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Lactose 20V, Negative-QTOF	splash10-0006-9365000000-65403961bfb5e35eaa0d	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Lactose 40V, Negative-QTOF	splash10-000l-9200000000-0de9785c1c5df1430dd2	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	34436864	details
Urine	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	34436864	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB021790

KNApSAcK ID

Not Available

Chemspider ID

5904

KEGG Compound ID

C01970

BioCyc ID

CPD-15971

BiGG ID

Not Available

Wikipedia Link

Lactose

METLIN ID

Not Available

PubChem Compound

6134

PDB ID

LAT

ChEBI ID

36218

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Enzymes

Enzyme Details

1. Lactase-phlorizin hydrolase

General function:: Involved in hydrolase activity, hydrolyzing O-glycosyl compounds
Specific function:: LPH splits lactose in the small intestine.
Gene Name:: LCT
Uniprot ID:: P09848
Molecular weight:: 218584.77

Reactions

beta-Lactose + Water → beta-D-Galactose + D-Glucose	details
beta-Lactose + Water → alpha-D-Glucose + beta-D-Galactose	details

Enzyme Details

2. Beta-1,4-galactosyltransferase 2

General function:: Involved in transferase activity, transferring glycosyl groups
Specific function:: Responsible for the synthesis of complex-type N-linked oligosaccharides in many glycoproteins as well as the carbohydrate moieties of glycolipids. Can produce lactose.
Gene Name:: B4GALT2
Uniprot ID:: O60909
Molecular weight:: 41971.815

Reactions

Uridine diphosphategalactose + D-Glucose → Uridine 5'-diphosphate + beta-Lactose	details

Enzyme Details

3. Alpha-lactalbumin

General function:: Involved in lactose synthase activity
Specific function:: Regulatory subunit of lactose synthase, changes the substrate specificity of galactosyltransferase in the mammary gland making glucose a good acceptor substrate for this enzyme. This enables LS to synthesize lactose, the major carbohydrate component of milk. In other tissues, galactosyltransferase transfers galactose onto the N-acetylglucosamine of the oligosaccharide chains in glycoproteins.
Gene Name:: LALBA
Uniprot ID:: P00709
Molecular weight:: Not Available

Reactions

Uridine diphosphategalactose + D-Glucose → Uridine 5'-diphosphate + beta-Lactose	details

Enzyme Details

4. Beta-1,4-galactosyltransferase 1

General function:: Involved in transferase activity, transferring glycosyl groups
Specific function:: The Golgi complex form catalyzes the production of lactose in the lactating mammary gland and could also be responsible for the synthesis of complex-type N-linked oligosaccharides in many glycoproteins as well as the carbohydrate moieties of glycolipids. The cell surface form functions as a recognition molecule during a variety of cell to cell and cell to matrix interactions, as those occurring during development and egg fertilization, by binding to specific oligosaccharide ligands on opposing cells or in the extracellular matrix.
Gene Name:: B4GALT1
Uniprot ID:: P15291
Molecular weight:: 43919.895

Reactions

Uridine diphosphategalactose + D-Glucose → Uridine 5'-diphosphate + beta-Lactose	details

Enzyme Details

5. Beta-galactosidase

General function:: Involved in hydrolase activity, hydrolyzing O-glycosyl compounds
Specific function:: Cleaves beta-linked terminal galactosyl residues from gangliosides, glycoproteins, and glycosaminoglycans. Isoform 2 has no beta-galactosidase catalytic activity, but plays functional roles in the formation of extracellular elastic fibers (elastogenesis) and in the development of connective tissue. Seems to be identical to the elastin-binding protein (EBP), a major component of the non-integrin cell surface receptor expressed on fibroblasts, smooth muscle cells, chondroblasts, leukocytes, and certain cancer cell types. In elastin producing cells, associates with tropoelastin intracellularly and functions as a recycling molecular chaperone which facilitates the secretions of tropoelastin and its assembly into elastic fibers.
Gene Name:: GLB1
Uniprot ID:: P16278
Molecular weight:: Not Available

Reactions

beta-Lactose + Water → alpha-D-Glucose + beta-D-Galactose	details

Showing metabocard for beta-Lactose (HMDB0041627)

MOL for HMDB0041627 (beta-Lactose)

3D MOL for HMDB0041627 (beta-Lactose)

3D SDF for HMDB0041627 (beta-Lactose)

3D-SDF for HMDB0041627 (beta-Lactose)

PDB for HMDB0041627 (beta-Lactose)

3D PDB for HMDB0041627 (beta-Lactose)

SMILES for HMDB0041627 (beta-Lactose)

INCHI for HMDB0041627 (beta-Lactose)

Structure for HMDB0041627 (beta-Lactose)

3D Structure for HMDB0041627 (beta-Lactose)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

Reactions

Reactions

Reactions

Reactions