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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2022-03-07 02:48:59 UTC

HMDB ID

HMDB0000055

Secondary Accession Numbers

HMDB00055

Metabolite Identification

Common Name

Cellobiose

Description

Cellobiose, also known as GLCB1-4GLCB or cellose, is a disaccharide. It is also classified as a reducing sugar. In terms of its chemical structure, it is derived from the condensation of a pair beta-glucose molecules creating a beta (1‚Üí4) bond. It belongs to the class of organic compounds known as O-glycosyl compounds. These are glycosides in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Cellobiose can be obtained by enzymatic hydrolysis of cellulose and cellulose-rich materials such as cotton, jute, or paper. Cellobiose is a plant metabolite found in flowering plants, conifers and other gymnosperms. Cellobiose can also be found in vertebrates that have consumed plant foods. It has been detected, but not quantified in, several different foods, such as okra, common chokecherries, cherry tomatoes, and welsh onions. Cellobiose can be used as an indicator carbohydrate for Crohn's disease and malabsorption syndrome. Intestinal permeability to detect Crohn's disease and malabsorption syndrome can be measured by the sugar absorption test. This test is based on determining the ratio of the urinary excretion of a large (a disaccharide such as cellobiose) and a small carbohydrate (a monosaccharide such as lactulose or rhamnose) after oral administration. Patients with Crohn's disease or with ulcerative colitis have increased permeability indices in comparison to healthy controls (PMID: 15546811 ).

Structure

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

HMDB0000055
     RDKit          3D
Cellobiose
 45 46  0  0  0  0  0  0  0  0999 V2000
    3.3309    3.1106   -0.0570 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8681    1.8264   -0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9234    0.8488    0.6591 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7562    0.8385   -0.0256 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9013   -0.2167    0.2525 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1979   -0.0650   -0.5516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138   -0.0324    0.0976 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3925   -1.0811   -0.2961 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4082   -1.2915    0.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7688   -1.4531    2.0519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9888   -0.9226   -1.5102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1027    0.3317   -2.0113 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2614    0.4426   -2.7949 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1173    1.4377   -1.0125 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9913    2.6448   -1.7137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0168    1.3719   -0.0074 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4856    1.8336    1.2090 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6306   -1.4808   -0.1454 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8482   -2.5948   -0.2414 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7418   -1.6433    0.9002 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4475   -2.8135    0.7010 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388   -0.4631    0.7581 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5355   -0.3776    1.8440 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3853    3.0330   -0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8652    1.8300    0.4474 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0416    1.5422   -1.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8040    1.2495    1.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6712   -0.3039    1.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2022   -0.1527    1.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8322   -2.0566   -0.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9870   -2.2225    0.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0836   -0.4180    0.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7128   -0.5860    2.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2537    0.5154   -2.7225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0264    0.0279   -2.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1369    1.4818   -0.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5779    2.5053   -2.6057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1858    2.0742   -0.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4736    1.8776    1.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1779   -1.2419   -1.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3267   -3.2725   -0.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588   -1.6460    1.9098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3537   -2.6026    0.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2701   -0.6041   -0.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8406   -1.2810    2.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  1
  5 28  1  1
  7 29  1  1
  8 30  1  6
  9 31  1  0
  9 32  1  0
 10 33  1  0
 12 34  1  6
 13 35  1  0
 14 36  1  1
 15 37  1  0
 16 38  1  6
 17 39  1  0
 18 40  1  6
 19 41  1  0
 20 42  1  1
 21 43  1  0
 22 44  1  6
 23 45  1  0
M  END

Cellobiose.mol
  Mrv1652303182019232D          

 23 24  0  0  0  0            999 V2000
    0.8250    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6500    1.4289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0625    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8875    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8250   -1.4289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4125   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8875   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0625    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  6  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  1  0  0  0
 10 23  1  0  0  0  0
  3 23  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000055

> <DATABASE_NAME>
hmdb

> <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-QRZGKKJRSA-N

> <FORMULA>
C12H22O11

> <MOLECULAR_WEIGHT>
342.2965

> <EXACT_MASS>
342.116211546

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
31.080234566711404

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,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-cellobiose

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000055
     RDKit          3D
Cellobiose
 45 46  0  0  0  0  0  0  0  0999 V2000
    3.3309    3.1106   -0.0570 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8681    1.8264   -0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9234    0.8488    0.6591 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7562    0.8385   -0.0256 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9013   -0.2167    0.2525 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1979   -0.0650   -0.5516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138   -0.0324    0.0976 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3925   -1.0811   -0.2961 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4082   -1.2915    0.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7688   -1.4531    2.0519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9888   -0.9226   -1.5102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1027    0.3317   -2.0113 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2614    0.4426   -2.7949 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1173    1.4377   -1.0125 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9913    2.6448   -1.7137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0168    1.3719   -0.0074 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4856    1.8336    1.2090 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6306   -1.4808   -0.1454 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8482   -2.5948   -0.2414 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7418   -1.6433    0.9002 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4475   -2.8135    0.7010 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388   -0.4631    0.7581 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5355   -0.3776    1.8440 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3853    3.0330   -0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8652    1.8300    0.4474 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0416    1.5422   -1.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8040    1.2495    1.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6712   -0.3039    1.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2022   -0.1527    1.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8322   -2.0566   -0.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9870   -2.2225    0.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0836   -0.4180    0.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7128   -0.5860    2.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2537    0.5154   -2.7225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0264    0.0279   -2.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1369    1.4818   -0.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5779    2.5053   -2.6057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1858    2.0742   -0.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4736    1.8776    1.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1779   -1.2419   -1.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3267   -3.2725   -0.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588   -1.6460    1.9098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3537   -2.6026    0.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2701   -0.6041   -0.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8406   -1.2810    2.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  1
  5 28  1  1
  7 29  1  1
  8 30  1  6
  9 31  1  0
  9 32  1  0
 10 33  1  0
 12 34  1  6
 13 35  1  0
 14 36  1  1
 15 37  1  0
 16 38  1  6
 17 39  1  0
 18 40  1  6
 19 41  1  0
 20 42  1  1
 21 43  1  0
 22 44  1  6
 23 45  1  0
M  END

HEADER    PROTEIN                                 18-MAR-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Cellobiose.mol                                    
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   18-MAR-20         0                                  
HETATM    1  O   UNK     0       1.540   5.335   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       0.770   4.001   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.540   2.667   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.080   2.667   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       3.850   4.001   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       3.850   1.334   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       5.390   1.334   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       3.080   0.000   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       3.850  -1.334   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       0.770  -1.334   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -0.770  -1.334   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.540  -2.667   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.770  -4.001   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -1.540  -5.335   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -3.080  -2.667   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -3.850  -1.334   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -5.390  -1.334   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -3.080   0.000   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -3.850   1.334   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -1.540   0.000   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -0.770   1.334   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       0.770   1.334   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   23                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   23                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   21                                                  
CONECT   13   12   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16   13   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   12   22                                                  
CONECT   22   21                                                            
CONECT   23   10    3                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

COMPND    HMDB0000055
HETATM    1  O1  UNL     1       3.331   3.111  -0.057  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.868   1.826  -0.036  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.923   0.849   0.659  1.00  0.00           C  
HETATM    4  O2  UNL     1       1.756   0.839  -0.026  1.00  0.00           O  
HETATM    5  C3  UNL     1       0.901  -0.217   0.253  1.00  0.00           C  
HETATM    6  O3  UNL     1      -0.198  -0.065  -0.552  1.00  0.00           O  
HETATM    7  C4  UNL     1      -1.414  -0.032   0.098  1.00  0.00           C  
HETATM    8  C5  UNL     1      -2.392  -1.081  -0.296  1.00  0.00           C  
HETATM    9  C6  UNL     1      -3.408  -1.291   0.828  1.00  0.00           C  
HETATM   10  O4  UNL     1      -2.769  -1.453   2.052  1.00  0.00           O  
HETATM   11  O5  UNL     1      -2.989  -0.923  -1.510  1.00  0.00           O  
HETATM   12  C7  UNL     1      -3.103   0.332  -2.011  1.00  0.00           C  
HETATM   13  O6  UNL     1      -4.261   0.443  -2.795  1.00  0.00           O  
HETATM   14  C8  UNL     1      -3.117   1.438  -1.012  1.00  0.00           C  
HETATM   15  O7  UNL     1      -2.991   2.645  -1.714  1.00  0.00           O  
HETATM   16  C9  UNL     1      -2.017   1.372  -0.007  1.00  0.00           C  
HETATM   17  O8  UNL     1      -2.486   1.834   1.209  1.00  0.00           O  
HETATM   18  C10 UNL     1       1.631  -1.481  -0.145  1.00  0.00           C  
HETATM   19  O9  UNL     1       0.848  -2.595  -0.241  1.00  0.00           O  
HETATM   20  C11 UNL     1       2.742  -1.643   0.900  1.00  0.00           C  
HETATM   21  O10 UNL     1       3.447  -2.813   0.701  1.00  0.00           O  
HETATM   22  C12 UNL     1       3.639  -0.463   0.758  1.00  0.00           C  
HETATM   23  O11 UNL     1       4.535  -0.378   1.844  1.00  0.00           O  
HETATM   24  H1  UNL     1       2.385   3.033  -0.301  1.00  0.00           H  
HETATM   25  H2  UNL     1       4.865   1.830   0.447  1.00  0.00           H  
HETATM   26  H3  UNL     1       4.042   1.542  -1.096  1.00  0.00           H  
HETATM   27  H4  UNL     1       2.804   1.249   1.696  1.00  0.00           H  
HETATM   28  H5  UNL     1       0.671  -0.304   1.333  1.00  0.00           H  
HETATM   29  H6  UNL     1      -1.202  -0.153   1.187  1.00  0.00           H  
HETATM   30  H7  UNL     1      -1.832  -2.057  -0.337  1.00  0.00           H  
HETATM   31  H8  UNL     1      -3.987  -2.222   0.648  1.00  0.00           H  
HETATM   32  H9  UNL     1      -4.084  -0.418   0.922  1.00  0.00           H  
HETATM   33  H10 UNL     1      -2.713  -0.586   2.487  1.00  0.00           H  
HETATM   34  H11 UNL     1      -2.254   0.515  -2.723  1.00  0.00           H  
HETATM   35  H12 UNL     1      -5.026   0.028  -2.299  1.00  0.00           H  
HETATM   36  H13 UNL     1      -4.137   1.482  -0.542  1.00  0.00           H  
HETATM   37  H14 UNL     1      -2.578   2.505  -2.606  1.00  0.00           H  
HETATM   38  H15 UNL     1      -1.186   2.074  -0.302  1.00  0.00           H  
HETATM   39  H16 UNL     1      -3.474   1.878   1.266  1.00  0.00           H  
HETATM   40  H17 UNL     1       2.178  -1.242  -1.097  1.00  0.00           H  
HETATM   41  H18 UNL     1       1.327  -3.273  -0.764  1.00  0.00           H  
HETATM   42  H19 UNL     1       2.259  -1.646   1.910  1.00  0.00           H  
HETATM   43  H20 UNL     1       4.354  -2.603   0.402  1.00  0.00           H  
HETATM   44  H21 UNL     1       4.270  -0.604  -0.142  1.00  0.00           H  
HETATM   45  H22 UNL     1       4.841  -1.281   2.121  1.00  0.00           H  
CONECT    1    2   24
CONECT    2    3   25   26
CONECT    3    4   22   27
CONECT    4    5
CONECT    5    6   18   28
CONECT    6    7
CONECT    7    8   16   29
CONECT    8    9   11   30
CONECT    9   10   31   32
CONECT   10   33
CONECT   11   12
CONECT   12   13   14   34
CONECT   13   35
CONECT   14   15   16   36
CONECT   15   37
CONECT   16   17   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

HMDB0000055
     RDKit          3D
Cellobiose
 45 46  0  0  0  0  0  0  0  0999 V2000
    3.3309    3.1106   -0.0570 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8681    1.8264   -0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9234    0.8488    0.6591 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7562    0.8385   -0.0256 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9013   -0.2167    0.2525 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1979   -0.0650   -0.5516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138   -0.0324    0.0976 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3925   -1.0811   -0.2961 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4082   -1.2915    0.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7688   -1.4531    2.0519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9888   -0.9226   -1.5102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1027    0.3317   -2.0113 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2614    0.4426   -2.7949 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1173    1.4377   -1.0125 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9913    2.6448   -1.7137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0168    1.3719   -0.0074 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4856    1.8336    1.2090 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6306   -1.4808   -0.1454 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8482   -2.5948   -0.2414 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7418   -1.6433    0.9002 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4475   -2.8135    0.7010 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388   -0.4631    0.7581 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5355   -0.3776    1.8440 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3853    3.0330   -0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8652    1.8300    0.4474 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0416    1.5422   -1.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8040    1.2495    1.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6712   -0.3039    1.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2022   -0.1527    1.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8322   -2.0566   -0.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9870   -2.2225    0.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0836   -0.4180    0.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7128   -0.5860    2.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2537    0.5154   -2.7225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0264    0.0279   -2.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1369    1.4818   -0.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5779    2.5053   -2.6057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1858    2.0742   -0.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4736    1.8776    1.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1779   -1.2419   -1.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3267   -3.2725   -0.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588   -1.6460    1.9098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3537   -2.6026    0.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2701   -0.6041   -0.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8406   -1.2810    2.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  1
  5 28  1  1
  7 29  1  1
  8 30  1  6
  9 31  1  0
  9 32  1  0
 10 33  1  0
 12 34  1  6
 13 35  1  0
 14 36  1  1
 15 37  1  0
 16 38  1  6
 17 39  1  0
 18 40  1  6
 19 41  1  0
 20 42  1  1
 21 43  1  0
 22 44  1  6
 23 45  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose	ChEBI
4-O-beta-D-Glucopyranosyl-beta-D-glucopyranose	ChEBI
beta-D-GLC-(1->4)-beta-D-GLC	ChEBI
beta-D-GLCP-(1->4)-beta-D-GLCP	ChEBI
beta-D-Glucosyl-(1->4)-beta-D-glucose	ChEBI
GLCB1-4GLCB	ChEBI
Glcbeta1-4glcbeta	ChEBI
1-b-D-Glucopyranosyl-4-b-D-glucopyranose	Generator
1-Β-D-glucopyranosyl-4-β-D-glucopyranose	Generator
4-O-b-D-Glucopyranosyl-b-D-glucopyranose	Generator
4-O-Β-D-glucopyranosyl-β-D-glucopyranose	Generator
b-D-GLC-(1->4)-b-D-GLC	Generator
Β-D-GLC-(1->4)-β-D-GLC	Generator
b-D-GLCP-(1->4)-b-D-GLCP	Generator
Β-D-GLCP-(1->4)-β-D-GLCP	Generator
b-D-Glucosyl-(1->4)-b-D-glucose	Generator
Β-D-glucosyl-(1->4)-β-D-glucose	Generator
4-(b-D-Glucosido)-D-glucose	HMDB
4-(b-delta-Glucosido)-delta-glucose	HMDB
4-(beta-D-Glucosido)-D-glucose	HMDB
4-(beta-delta-Glucosido)-delta-glucose	HMDB
4-beta-D-Glucopyranosyl-D-glucopyranose	HMDB
4-beta-delta-Glucopyranosyl-delta-glucopyranose	HMDB
4-O-b-D-Glucopyranosyl-D-glucose	HMDB
4-O-beta-D-Glucopyranosyl-D-glucose	HMDB
4-O-beta-delta-Glucopyranosyl-delta-glucose	HMDB
Cellose	HMDB
D-(+)-Cellobiose	HMDB
D-Cellobiose	HMDB
D-Glucosyl-b-(1->4)-D-glucose	HMDB
D-Glucosyl-beta-(1-4)-D-glucose	HMDB
D-Glucosyl-beta-(1->4)-D-glucose	HMDB
delta-(+)-Cellobiose	HMDB
delta-Cellobiose	HMDB
delta-Glucosyl-beta-(1-4)-delta-glucose	HMDB
delta-Glucosyl-beta-(1->4)-delta-glucose	HMDB
4 O beta D Glucopyranosyl D glucopyranose	HMDB
4-O-beta-D-Glucopyranosyl-D-glucopyranose	HMDB
b-Cellobiose	HMDB
Β-cellobiose	HMDB
CELLOBIOSE	ChEBI

Chemical Formula

C₁₂H₂₂O₁₁

Average Molecular Weight

342.2965

Monoisotopic Molecular Weight

342.116211546

IUPAC Name

(2R,3S,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-cellobiose

CAS Registry Number

528-50-7

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-QRZGKKJRSA-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

cellobiose (CHEBI:36217 )

Ontology

Not Available

Intestine (HMDB: HMDB0000055)
Spleen (HMDB: HMDB0000055)

Excreta

Biofluid or Excreta

Urine (PMID: 28157703)

Cellular substructure

Cytoplasm (HMDB: HMDB0000055)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0000055)

Source

Exogenous

Exogenous (HMDB: HMDB0000055)

Food

Food (HMDB: HMDB0000055)

Herbs and Spices (FooDB: FOOD00866)

Nut

Almond (FooDB: FOOD00148)
Brazil nut (FooDB: FOOD00024)
Cashew nut (FooDB: FOOD00011)
Chestnut (FooDB: FOOD00045)
Peanut (FooDB: FOOD00016)
Hazelnut (FooDB: FOOD00376)
Pecan nut (FooDB: FOOD00044)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Walnut (FooDB: FOOD00608)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hickory nut (FooDB: FOOD00377)
Macadamia nut (FooDB: FOOD00525)
Mixed nuts (FooDB: FOOD00771)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Japanese chestnut (FooDB: FOOD00385)
Common hazelnut (FooDB: FOOD00062)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Nuts (FooDB: FOOD00869)

Fruit

Pome

Drupe

Apricot (FooDB: FOOD00144)
Prunus (Cherry, Plum) (FooDB: FOOD00143)
Nectarine (FooDB: FOOD00229)
Peach (FooDB: FOOD00149)
European plum (FooDB: FOOD00147)
Sour cherry (FooDB: FOOD00146)
Sweet cherry (FooDB: FOOD00145)
Common chokecherry (FooDB: FOOD00562)
Peach (var.) (FooDB: FOOD00230)

Tropical fruit

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)
Boysenberry (FooDB: FOOD00542)
American cranberry (FooDB: FOOD00192)
Common grape (FooDB: FOOD00204)
Strawberry guava (FooDB: FOOD00482)
Black mulberry (FooDB: FOOD00117)
Red raspberry (FooDB: FOOD00162)
Muscadine grape (FooDB: FOOD00203)
Salmonberry (FooDB: FOOD00456)
Alaska blueberry (FooDB: FOOD00380)
Sea-buckthornberry (FooDB: FOOD00087)
Black elderberry (FooDB: FOOD00166)
Black crowberry (FooDB: FOOD00075)
Black huckleberry (FooDB: FOOD00084)
Mulberry (FooDB: FOOD00116)
Black chokeberry (FooDB: FOOD00136)
Cloudberry (FooDB: FOOD00161)
Black raspberry (FooDB: FOOD00163)
Rowanberry (FooDB: FOOD00176)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Ohelo berry (FooDB: FOOD00419)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)

Other fruit

Date (FooDB: FOOD00135)
Fig (FooDB: FOOD00081)
Jujube (FooDB: FOOD00388)

Citrus

Grapefruit (FooDB: FOOD00256)
Lemon (FooDB: FOOD00054)
Lime (FooDB: FOOD00053)
Sweet orange (FooDB: FOOD00057)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Persian lime (FooDB: FOOD00543)
Pummelo (FooDB: FOOD00055)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Citrus (FooDB: FOOD00859)

Fruits (FooDB: FOOD00871)

Vegetable

Shoot vegetable

Fruit vegetable

Eggplant (FooDB: FOOD00174)
Avocado (FooDB: FOOD00130)
Groundcherry (FooDB: FOOD00371)
Olive (FooDB: FOOD00121)
Pepper (FooDB: FOOD00040)
Garden tomato (FooDB: FOOD00171)
Mexican groundcherry (FooDB: FOOD00491)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Garden tomato (var.) (FooDB: FOOD00173)
Cherry tomato (FooDB: FOOD00172)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Pepper (C. frutescens) (FooDB: FOOD00428)
Pepper (C. pubescens) (FooDB: FOOD00849)
Orange bell pepper (FooDB: FOOD00879)

Root vegetable

Cabbage

Leaf vegetable

Lettuce (FooDB: FOOD00095)
Swiss chard (FooDB: FOOD00237)
Garden cress (FooDB: FOOD00099)
Endive (FooDB: FOOD00048)
Spinach (FooDB: FOOD00178)
Common beet (FooDB: FOOD00025)
Garland chrysanthemum (FooDB: FOOD00333)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
New Zealand spinach (FooDB: FOOD00415)
Swamp cabbage (FooDB: FOOD00091)
Rocket salad (ssp.) (FooDB: FOOD00077)
Yautia (FooDB: FOOD00510)
Romaine lettuce (FooDB: FOOD00888)
Rocket salad (FooDB: FOOD00244)
Chicory leaves (FooDB: FOOD00250)
Corn salad (FooDB: FOOD00340)
Malabar spinach (FooDB: FOOD00404)
Ostrich fern (FooDB: FOOD00556)
Green vegetables (FooDB: FOOD00872)

Mushroom

Tuber

Onion-family vegetable

Leek (FooDB: FOOD00007)
Allium (FooDB: FOOD00005)
Wild leek (FooDB: FOOD00396)
Shallot (FooDB: FOOD00243)
Garden onion (FooDB: FOOD00006)
Garden onion (var.) (FooDB: FOOD00226)
Onion-family vegetables (FooDB: FOOD00855)
Green onion (FooDB: FOOD00963)
Red onion (FooDB: FOOD00962)

Other vegetable

Okra (FooDB: FOOD00420)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Tree fern (FooDB: FOOD00797)
Chinese water chestnut (FooDB: FOOD00332)
Nopal (FooDB: FOOD00416)
Carob (FooDB: FOOD00321)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Giant butterbur (FooDB: FOOD00314)
Sesbania flower (FooDB: FOOD00469)

Stalk vegetable

Brassica

Brassicas (FooDB: FOOD00857)

Cereal and cereal product

Other bread

Other bread (FooDB: FOOD00269)

Cereal

Cereal product

Dough

Sourdough (FooDB: FOOD00275)

Cereals and cereal products (FooDB: FOOD00858)

Pulse

Bean

Lentil

Lentils (FooDB: FOOD00098)

Pea

Other pulse

White lupine (FooDB: FOOD00403)
Lupine (FooDB: FOOD00104)

Pulses (FooDB: FOOD00867)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Other soy product (FooDB: FOOD00271)

Abalone (FooDB: FOOD00279)
Conch (FooDB: FOOD00611)

Gourd

Chayote (FooDB: FOOD00325)
Cucumber (FooDB: FOOD00065)
Muskmelon (FooDB: FOOD00064)
Cucurbita (FooDB: FOOD00066)
Watermelon (FooDB: FOOD00052)
Bitter gourd (FooDB: FOOD00115)
Calabash (FooDB: FOOD00318)
Towel gourd (FooDB: FOOD00492)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Wax gourd (FooDB: FOOD00499)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)

Tea

Herbal tea

Greenthread tea (FooDB: FOOD00820)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Endogenous

Plant

Animal

Animal (HMDB: HMDB0000055)

Microbe

Microbe (HMDB: HMDB0000055)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	229 - 230 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	111 mg/mL at 15 °C	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	Baker	167.864	30932474
[M-H]-	Not Available	175.8	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000509

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	31.08 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]+	174.96	31661259
DarkChem	[M-H]-	168.536	31661259
AllCCS	[M+H]+	176.311	32859911
AllCCS	[M-H]-	174.376	32859911
DeepCCS	[M+H]+	174.148	30932474
DeepCCS	[M-H]-	172.007	30932474
DeepCCS	[M-2H]-	205.419	30932474
DeepCCS	[M+Na]+	179.931	30932474
AllCCS	[M+H]+	176.3	32859911
AllCCS	[M+H-H2O]+	173.5	32859911
AllCCS	[M+NH4]+	178.9	32859911
AllCCS	[M+Na]+	179.7	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
Cellobiose	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
Cellobiose	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
Cellobiose	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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,1TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](O)[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]1O	2784.3	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,2TMS,isomer #1	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)[C@@H]1O	2814.6	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,2TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@@H](O)[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]1O	2776.0	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,2TMS,isomer #14	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	2777.7	Semi standard non polar	33892256
Cellobiose,2TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@@H](O)[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]1O	2771.1	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,2TMS,isomer #21	C[Si](C)(C)O[C@@H]1[C@@H](O)[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](CO)[C@H]1O	2790.1	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,2TMS,isomer #26	C[Si](C)(C)O[C@H]1[C@H](O)[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	2774.3	Semi standard non polar	33892256
Cellobiose,2TMS,isomer #27	C[Si](C)(C)O[C@@H]1[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](CO)[C@H]1O	2782.6	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,3TMS,isomer #1	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)[C@@H]1O	2681.4	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,3TMS,isomer #2	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)[C@@H]1O	2685.2	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,3TMS,isomer #24	C[Si](C)(C)O[C@@H]1[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](O)[C@H]1O	2719.7	Semi standard non polar	33892256
Cellobiose,3TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@@H](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)O[C@H](CO)[C@H]1O	2706.3	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,3TMS,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[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	2720.1	Semi standard non polar	33892256
Cellobiose,3TMS,isomer #29	C[Si](C)(C)O[C@@H]1[C@@H](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)O[C@H](CO)[C@H]1O	2697.4	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,3TMS,isomer #34	C[Si](C)(C)O[C@H]1[C@H](O)[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	2700.2	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,3TMS,isomer #36	C[Si](C)(C)O[C@@H]1[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](CO)[C@H]1O	2685.6	Semi standard non polar	33892256
Cellobiose,3TMS,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)[C@H]1O[Si](C)(C)C	2727.2	Semi standard non polar	33892256
Cellobiose,3TMS,isomer #38	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
Cellobiose,3TMS,isomer #39	C[Si](C)(C)O[C@H]1[C@H](O)[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	2707.2	Semi standard non polar	33892256
Cellobiose,3TMS,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)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2679.3	Semi standard non polar	33892256
Cellobiose,3TMS,isomer #40	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[Si](C)(C)C)[C@H]2O)[C@@H](CO)O[C@H]1O	2711.0	Semi standard non polar	33892256
Cellobiose,3TMS,isomer #41	C[Si](C)(C)O[C@@H]1[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](CO)[C@H]1O	2700.3	Semi standard non polar	33892256
Cellobiose,3TMS,isomer #42	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)[C@H](O)[C@H]1O[Si](C)(C)C	2706.1	Semi standard non polar	33892256
Cellobiose,3TMS,isomer #43	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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,3TMS,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[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2678.2	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,3TMS,isomer #51	C[Si](C)(C)O[C@H]1[C@H](O)[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	2723.8	Semi standard non polar	33892256
Cellobiose,3TMS,isomer #52	C[Si](C)(C)O[C@@H]1[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](CO)[C@H]1O	2709.6	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,3TMS,isomer #56	C[Si](C)(C)O[C@@H]1[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](CO)[C@H]1O[Si](C)(C)C	2689.9	Semi standard non polar	33892256
Cellobiose,3TMS,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)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2692.3	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,4TMS,isomer #1	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)[C@@H]1O	2619.9	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2604.8	Semi standard non polar	33892256
Cellobiose,4TMS,isomer #14	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)[C@@H]1O[Si](C)(C)C	2626.9	Semi standard non polar	33892256
Cellobiose,4TMS,isomer #15	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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,4TMS,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[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2606.2	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,4TMS,isomer #38	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)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2670.3	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,4TMS,isomer #4	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[Si](C)(C)C)[C@H]1O	2614.8	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,4TMS,isomer #43	C[Si](C)(C)O[C@H]1[C@H](O)[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	2660.8	Semi standard non polar	33892256
Cellobiose,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[Si](C)(C)C)[C@H]1O	2683.9	Semi standard non polar	33892256
Cellobiose,4TMS,isomer #45	C[Si](C)(C)O[C@@H]1[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](CO)[C@H]1O	2665.3	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,4TMS,isomer #49	C[Si](C)(C)O[C@H]1[C@H](O)[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	2644.7	Semi standard non polar	33892256
Cellobiose,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[Si](C)(C)C)[C@H](O)[C@H]1O	2618.8	Semi standard non polar	33892256
Cellobiose,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[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	2668.4	Semi standard non polar	33892256
Cellobiose,4TMS,isomer #51	C[Si](C)(C)O[C@@H]1[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](CO)[C@H]1O	2646.5	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,4TMS,isomer #55	C[Si](C)(C)O[C@@H]1[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](CO)[C@H]1O[Si](C)(C)C	2630.1	Semi standard non polar	33892256
Cellobiose,4TMS,isomer #56	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
Cellobiose,4TMS,isomer #57	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
Cellobiose,4TMS,isomer #58	C[Si](C)(C)O[C@H]1[C@H](O)[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	2659.2	Semi standard non polar	33892256
Cellobiose,4TMS,isomer #59	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
Cellobiose,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
Cellobiose,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
Cellobiose,4TMS,isomer #61	C[Si](C)(C)O[C@@H]1[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](CO)[C@H]1O[Si](C)(C)C	2669.7	Semi standard non polar	33892256
Cellobiose,4TMS,isomer #62	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
Cellobiose,4TMS,isomer #63	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
Cellobiose,4TMS,isomer #64	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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,4TMS,isomer #69	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[Si](C)(C)C)[C@H](O)[C@H]1O	2637.2	Semi standard non polar	33892256
Cellobiose,4TMS,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)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2625.1	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,4TMS,isomer #8	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[Si](C)(C)C)[C@H]1O	2640.5	Semi standard non polar	33892256
Cellobiose,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[Si](C)(C)C)[C@H](O)[C@H]1O	2632.0	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,5TMS,isomer #10	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
Cellobiose,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
Cellobiose,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
Cellobiose,5TMS,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)[C@@H]1O[Si](C)(C)C	2612.4	Semi standard non polar	33892256
Cellobiose,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)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2634.0	Semi standard non polar	33892256
Cellobiose,5TMS,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[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
Cellobiose,5TMS,isomer #16	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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,5TMS,isomer #2	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)[C@@H]1O	2602.0	Semi standard non polar	33892256
Cellobiose,5TMS,isomer #20	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[Si](C)(C)C	2625.8	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,5TMS,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)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2620.1	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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[Si](C)(C)C)[C@H](O)[C@H]1O	2611.3	Semi standard non polar	33892256
Cellobiose,5TMS,isomer #40	C[Si](C)(C)O[C@H]1[C@H](O)[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	2649.5	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,5TMS,isomer #45	C[Si](C)(C)O[C@@H]1[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](CO)[C@H]1O[Si](C)(C)C	2661.7	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,5TMS,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[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2650.0	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,5TMS,isomer #52	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
Cellobiose,5TMS,isomer #53	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[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2663.7	Semi standard non polar	33892256
Cellobiose,5TMS,isomer #54	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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2594.9	Semi standard non polar	33892256
Cellobiose,5TMS,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)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2601.6	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,6TMS,isomer #10	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[Si](C)(C)C	2618.8	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,6TMS,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[Si](C)(C)C)[C@H]1O	2634.3	Semi standard non polar	33892256
Cellobiose,6TMS,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[Si](C)(C)C	2635.5	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,6TMS,isomer #25	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[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2662.9	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,6TMS,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)[C@@H]1O[Si](C)(C)C	2642.1	Semi standard non polar	33892256
Cellobiose,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)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2623.5	Semi standard non polar	33892256
Cellobiose,6TMS,isomer #5	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)[C@@H]1O[Si](C)(C)C	2623.0	Semi standard non polar	33892256
Cellobiose,6TMS,isomer #6	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
Cellobiose,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
Cellobiose,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
Cellobiose,6TMS,isomer #9	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[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2626.6	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,7TMS,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[Si](C)(C)C)[C@H]1O	2671.2	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[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]1O	3036.1	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,2TBDMS,isomer #1	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)[C@@H]1O	3246.7	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](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)O[C@H](CO)[C@H]1O	3247.3	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,2TBDMS,isomer #14	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	3245.9	Semi standard non polar	33892256
Cellobiose,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](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)O[C@H](CO)[C@H]1O	3242.8	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](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)O[C@H](CO)[C@H]1O	3257.0	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3244.3	Semi standard non polar	33892256
Cellobiose,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)O[C@@H]1[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](CO)[C@H]1O	3254.7	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,3TBDMS,isomer #1	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)[C@@H]1O	3392.8	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,3TBDMS,isomer #2	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)[C@@H]1O	3395.1	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@@H]1[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](O)[C@H]1O	3422.5	Semi standard non polar	33892256
Cellobiose,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](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)O[C@H](CO)[C@H]1O	3422.4	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,3TBDMS,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[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	3412.8	Semi standard non polar	33892256
Cellobiose,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](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)O[C@H](CO)[C@H]1O	3410.8	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3405.4	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)O[C@@H]1[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](CO)[C@H]1O	3410.9	Semi standard non polar	33892256
Cellobiose,3TBDMS,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)[C@H]1O[Si](C)(C)C(C)(C)C	3412.1	Semi standard non polar	33892256
Cellobiose,3TBDMS,isomer #38	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
Cellobiose,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3411.3	Semi standard non polar	33892256
Cellobiose,3TBDMS,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)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3407.5	Semi standard non polar	33892256
Cellobiose,3TBDMS,isomer #40	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[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H](CO)O[C@H]1O	3407.5	Semi standard non polar	33892256
Cellobiose,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)O[C@@H]1[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](CO)[C@H]1O	3419.6	Semi standard non polar	33892256
Cellobiose,3TBDMS,isomer #42	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)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3409.0	Semi standard non polar	33892256
Cellobiose,3TBDMS,isomer #43	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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,3TBDMS,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[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3395.3	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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	3417.7	Semi standard non polar	33892256
Cellobiose,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)O[C@@H]1[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](CO)[C@H]1O	3423.9	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C	3405.9	Semi standard non polar	33892256
Cellobiose,3TBDMS,isomer #6	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)[C@@H]1O[Si](C)(C)C(C)(C)C	3403.4	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,4TBDMS,isomer #1	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[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3520.0	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3544.9	Semi standard non polar	33892256
Cellobiose,4TBDMS,isomer #14	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)[C@@H]1O[Si](C)(C)C(C)(C)C	3546.1	Semi standard non polar	33892256
Cellobiose,4TBDMS,isomer #15	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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,4TBDMS,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[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	3546.9	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,4TBDMS,isomer #38	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)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3573.9	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,4TBDMS,isomer #4	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[Si](C)(C)C(C)(C)C)[C@H]1O	3540.0	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[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)O[C@@H]1CO	3568.4	Semi standard non polar	33892256
Cellobiose,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[Si](C)(C)C(C)(C)C)[C@H]1O	3565.5	Semi standard non polar	33892256
Cellobiose,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[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)O[C@H](CO)[C@H]1O	3574.9	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3558.4	Semi standard non polar	33892256
Cellobiose,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[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3536.7	Semi standard non polar	33892256
Cellobiose,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[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
Cellobiose,4TBDMS,isomer #51	CC(C)(C)[Si](C)(C)O[C@@H]1[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[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H]1O	3565.7	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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[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]1O[Si](C)(C)C(C)(C)C	3547.2	Semi standard non polar	33892256
Cellobiose,4TBDMS,isomer #56	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
Cellobiose,4TBDMS,isomer #57	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
Cellobiose,4TBDMS,isomer #58	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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[Si](C)(C)C(C)(C)C)O[C@@H]2CO)O[C@@H]1CO	3557.4	Semi standard non polar	33892256
Cellobiose,4TBDMS,isomer #59	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
Cellobiose,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
Cellobiose,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
Cellobiose,4TBDMS,isomer #61	CC(C)(C)[Si](C)(C)O[C@@H]1[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](CO)[C@H]1O[Si](C)(C)C(C)(C)C	3570.2	Semi standard non polar	33892256
Cellobiose,4TBDMS,isomer #62	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
Cellobiose,4TBDMS,isomer #63	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
Cellobiose,4TBDMS,isomer #64	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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,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
Cellobiose,4TBDMS,isomer #69	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[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3558.0	Semi standard non polar	33892256
Cellobiose,4TBDMS,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)O[C@@H]2CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3559.5	Semi standard non polar	33892256
Cellobiose,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
Cellobiose,4TBDMS,isomer #8	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[Si](C)(C)C(C)(C)C)[C@H]1O	3555.7	Semi standard non polar	33892256
Cellobiose,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[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3549.7	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Cellobiose GC-MS (1 MEOX; 8 TMS)	splash10-0wmi-1794000000-0677096b4c9ccf48f063	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Cellobiose GC-MS (1 MEOX; 8 TMS)	splash10-0uxr-1793000000-4b9e3693e06370d25b79	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Cellobiose GC-MS (8 TMS)	splash10-0udi-0592000000-fd6c9b6fc37768f90f50	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Cellobiose GC-EI-TOF (Non-derivatized)	splash10-0uxs-0951000000-5a3ac52d468ddc5c332a	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Cellobiose GC-EI-TOF (Non-derivatized)	splash10-0uxr-0951000000-c862eeafae784cc54fa3	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cellobiose GC-MS (Non-derivatized) - 70eV, Positive	splash10-03e9-4897000000-332d470623cd7f1e1ced	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cellobiose GC-MS (4 TMS) - 70eV, Positive	splash10-014i-3222149000-51b76bf2eab425e81425	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cellobiose GC-MS (TBDMS_3_3) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cellobiose GC-MS (TBDMS_3_16) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cellobiose GC-MS (TBDMS_4_2) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cellobiose GC-MS (TBDMS_4_10) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cellobiose GC-MS (TBDMS_4_11) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cellobiose GC-MS (TBDMS_4_12) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cellobiose GC-MS (TBDMS_4_20) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cellobiose GC-MS (TBDMS_4_32) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cellobiose GC-MS (TBDMS_4_33) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cellobiose GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cellobiose GC-MS ("Cellobiose,3TBDMS,#3" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cellobiose GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cellobiose GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cellobiose GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cellobiose GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cellobiose GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cellobiose GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cellobiose GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Cellobiose Quattro_QQQ 10V, Positive-QTOF (Annotated)	splash10-03di-0901000000-4f5e21e94576c46b5a30	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Cellobiose Quattro_QQQ 25V, Positive-QTOF (Annotated)	splash10-000i-9300000000-e62e4ba03fc46e7f06bc	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Cellobiose Quattro_QQQ 40V, Positive-QTOF (Annotated)	splash10-000i-9000000000-ca047c1ce7b82c7aa87c	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Cellobiose 40V, Negative-QTOF	splash10-0ab9-9000000000-c4ddbfcb86ed7714925b	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Cellobiose 20V, Negative-QTOF	splash10-0fki-9600000000-684f3e6bfcb4b3f65879	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Cellobiose 10V, Negative-QTOF	splash10-0ik9-2900000000-6f8ce9de315ceb48511c	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Cellobiose 10V, Negative-QTOF	splash10-0ik9-3900000000-a7560da5d35c827f8b96	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Cellobiose 20V, Negative-QTOF	splash10-0fki-9600000000-555afe933920df7d007f	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Cellobiose 20V, Negative-QTOF	splash10-0uki-9600000000-deabb4159817d4b7a024	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Cellobiose 10V, Negative-QTOF	splash10-0ik9-3900000000-b9ab5098e40517a0129c	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Cellobiose 40V, Negative-QTOF	splash10-0ab9-9000000000-516fe731f3fd059e37ab	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Cellobiose 40V, Negative-QTOF	splash10-0ab9-9000000000-7fe640a698bed4f9e4c6	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cellobiose 10V, Positive-QTOF	splash10-01tc-0419000000-7756e1f28bcc76e75af1	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cellobiose 20V, Positive-QTOF	splash10-03fr-1915000000-f7a01cbe1a1eba1f39b1	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cellobiose 40V, Positive-QTOF	splash10-01we-4920000000-0dcd848ee51f4218f67a	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cellobiose 10V, Negative-QTOF	splash10-0006-2379000000-abb41b2f1a43083992ca	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cellobiose 20V, Negative-QTOF	splash10-0200-3923000000-87a71f93194716a7f75d	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cellobiose 40V, Negative-QTOF	splash10-004l-6900000000-a0954b0f7ffc379d1dee	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cellobiose 10V, Positive-QTOF	splash10-0006-0109000000-9d0f9a68a67bafd734ab	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cellobiose 20V, Positive-QTOF	splash10-01rw-3898000000-7f495a1bcfdbed6466c4	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cellobiose 40V, Positive-QTOF	splash10-01ti-9210000000-b8a83657f0266d372bee	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cellobiose 10V, Negative-QTOF	splash10-000x-1069000000-9cd867711bca0eecf935	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cellobiose 20V, Negative-QTOF	splash10-0006-9365000000-65403961bfb5e35eaa0d	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cellobiose 40V, Negative-QTOF	splash10-000l-9200000000-0de9785c1c5df1430dd2	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Experimental 1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)	2012-12-04	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2012-12-04	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Urine

Tissue Locations

Intestine
Spleen

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	28157703	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Bladder cancer	28157703	details

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

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Cellobiose

METLIN ID

3480

PubChem Compound

10712

PDB ID

Not Available

ChEBI ID

36217

Food Biomarker Ontology

Not Available

VMH ID

CELLB

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Machida, Makoto; Hosokawa, Koji. Enzymic preparation of cellooligosaccharide with cellulase. Jpn. Kokai Tokkyo Koho (2006), 20pp. CODEN: JKXXAF JP 2006204294 A 20060810 CAN 145:187210 AN 2006:786561

Material Safety Data Sheet (MSDS)

Not Available

General References

Morita T, Ozawa M, Ito H, Kimio S, Kiriyama S: Cellobiose is extensively digested in the small intestine by beta-galactosidase in rats. Nutrition. 2008 Nov-Dec;24(11-12):1199-204. doi: 10.1016/j.nut.2008.06.029. Epub 2008 Aug 26. [PubMed:18752931 ]
Matsuura Y: Degradation of konjac glucomannan by enzymes in human feces and formation of short-chain fatty acids by intestinal anaerobic bacteria. J Nutr Sci Vitaminol (Tokyo). 1998 Jun;44(3):423-36. [PubMed:9742462 ]
Nakamura S, Oku T, Ichinose M: Bioavailability of cellobiose by tolerance test and breath hydrogen excretion in humans. Nutrition. 2004 Nov-Dec;20(11-12):979-83. [PubMed:15561487 ]
Cain WJ, Millar JS, Himebauch AS, Tietge UJ, Maugeais C, Usher D, Rader DJ: Lipoprotein [a] is cleared from the plasma primarily by the liver in a process mediated by apolipoprotein [a]. J Lipid Res. 2005 Dec;46(12):2681-91. Epub 2005 Sep 8. [PubMed:16150825 ]
Cobden I, Hamilton I, Rothwell J, Axon AT: Cellobiose/mannitol test: physiological properties of probe molecules and influence of extraneous factors. Clin Chim Acta. 1985 May 15;148(1):53-62. [PubMed:3924445 ]
Welcker K, Martin A, Kolle P, Siebeck M, Gross M: Increased intestinal permeability in patients with inflammatory bowel disease. Eur J Med Res. 2004 Oct 29;9(10):456-60. [PubMed:15546811 ]
Calero M, Ghiso J: Radiolabeling of amyloid-beta peptides. Methods Mol Biol. 2005;299:325-48. [PubMed:15980615 ]
Sakamoto M, Huang Y, Umeda M, Ishikawa I, Benno Y: Prevotella multiformis sp. nov., isolated from human subgingival plaque. Int J Syst Evol Microbiol. 2005 Mar;55(Pt 2):815-9. [PubMed:15774668 ]
Hu WL, Chindemi PA, Regoeczi E: In vivo behaviour of rat transferrin bearing a hybrid glycan and its interaction with macrophages. Biochem Cell Biol. 1992 Aug;70(8):636-42. [PubMed:1476702 ]
Potier M, Dallaire L, Melancon SB: Occurrence and properties of fetal intestinal glycosidases (disaccharidases) in human amniotic fluid. Biol Neonate. 1975;27(3-4):141-52. [PubMed:241430 ]
Johansson AG, Sundqvist T, Skogh T: IgG immune complex binding to and activation of liver cells. An in vitro study with IgG immune complexes, Kupffer cells, sinusoidal endothelial cells and hepatocytes. Int Arch Allergy Immunol. 2000 Apr;121(4):329-36. [PubMed:10828724 ]
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Juby LD, Rothwell J, Axon AT: Cellobiose/mannitol sugar test--a sensitive tubeless test for coeliac disease: results on 1010 unselected patients. Gut. 1989 Apr;30(4):476-80. [PubMed:2497056 ]

Enzymes

Enzyme Details

1. Glucosidase 2 subunit beta

General function:: Involved in calcium ion binding
Specific function:: Regulatory subunit of glucosidase II
Gene Name:: PRKCSH
Uniprot ID:: P14314
Molecular weight:: 59424.9

References

Morita T, Ozawa M, Ito H, Kimio S, Kiriyama S: Cellobiose is extensively digested in the small intestine by beta-galactosidase in rats. Nutrition. 2008 Nov-Dec;24(11-12):1199-204. doi: 10.1016/j.nut.2008.06.029. Epub 2008 Aug 26. [PubMed:18752931 ]

Enzyme Details

2. Glucosylceramidase

General function:: Involved in catalytic activity
Specific function:: Not Available
Gene Name:: GBA
Uniprot ID:: P04062
Molecular weight:: 59715.745

Enzyme Details

3. Cytosolic beta-glucosidase

General function:: Involved in hydrolase activity, hydrolyzing O-glycosyl compounds
Specific function:: Glycosidase probably involved in the intestinal absorption and metabolism of dietary flavonoid glycosides. Able to hydrolyze a broad variety of glycosides including phytoestrogens, flavonols, flavones, flavanones and cyanogens. Possesses beta-glycosylceramidase activity and may be involved in a nonlysosomal catabolic pathway of glycosylceramide.
Gene Name:: GBA3
Uniprot ID:: Q9H227
Molecular weight:: Not Available

Reactions

Cellobiose + Water → D-Glucose	details

References

Morita T, Ozawa M, Ito H, Kimio S, Kiriyama S: Cellobiose is extensively digested in the small intestine by beta-galactosidase in rats. Nutrition. 2008 Nov-Dec;24(11-12):1199-204. doi: 10.1016/j.nut.2008.06.029. Epub 2008 Aug 26. [PubMed:18752931 ]

Showing metabocard for Cellobiose (HMDB0000055)

MOL for HMDB0000055 (Cellobiose)

3D MOL for HMDB0000055 (Cellobiose)

3D SDF for HMDB0000055 (Cellobiose)

3D-SDF for HMDB0000055 (Cellobiose)

PDB for HMDB0000055 (Cellobiose)

3D PDB for HMDB0000055 (Cellobiose)

SMILES for HMDB0000055 (Cellobiose)

INCHI for HMDB0000055 (Cellobiose)

Structure for HMDB0000055 (Cellobiose)

3D Structure for HMDB0000055 (Cellobiose)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

References

Reactions

References