MiMeDB: Showing metabocard for N,N'-diacetylchitobiono-1,5-lactone (MMDBc0056159)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-06-17 20:18:27 UTC

Update Date

2025-10-07 16:09:36 UTC

Metabolite ID

MMDBc0056159

Metabolite Identification

Common Name

N,N'-diacetylchitobiono-1,5-lactone

Description

N,N'-diacetylchitobiono-1,5-lactone is a lactone belonging to the class of oligosaccharides. There is limited literature available on this metabolite, indicating a need for further research to explore its biological significance and potential applications.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652306172222182D          

 38 39  0  0  1  0            999 V2000
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  4  0  0  0
  6  2  1  4  0  0  0
  7  3  1  1  0  0  0
  8  4  1  1  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17  5  2  0  0  0  0
  9 17  1  6  0  0  0
 18  6  2  0  0  0  0
 10 18  1  6  0  0  0
 19  3  1  0  0  0  0
 20  4  1  0  0  0  0
 21  5  1  0  0  0  0
 22  6  1  0  0  0  0
 11 23  1  6  0  0  0
 12 24  1  6  0  0  0
 13 25  1  1  0  0  0
 26 15  2  0  0  0  0
 27  8  1  0  0  0  0
 27 15  1  0  0  0  0
 28  7  1  0  0  0  0
 28 16  1  0  0  0  0
 14 29  1  1  0  0  0
 16 29  1  1  0  0  0
  7 30  1  6  0  0  0
  8 31  1  6  0  0  0
  9 32  1  1  0  0  0
 10 33  1  1  0  0  0
 11 34  1  1  0  0  0
 12 35  1  6  0  0  0
 13 36  1  6  0  0  0
 14 37  1  1  0  0  0
 16 38  1  6  0  0  0
M  END


  Mrv1652306172222182D          

 38 39  0  0  1  0            999 V2000
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  4  0  0  0
  6  2  1  4  0  0  0
  7  3  1  1  0  0  0
  8  4  1  1  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17  5  2  0  0  0  0
  9 17  1  6  0  0  0
 18  6  2  0  0  0  0
 10 18  1  6  0  0  0
 19  3  1  0  0  0  0
 20  4  1  0  0  0  0
 21  5  1  0  0  0  0
 22  6  1  0  0  0  0
 11 23  1  6  0  0  0
 12 24  1  6  0  0  0
 13 25  1  1  0  0  0
 26 15  2  0  0  0  0
 27  8  1  0  0  0  0
 27 15  1  0  0  0  0
 28  7  1  0  0  0  0
 28 16  1  0  0  0  0
 14 29  1  1  0  0  0
 16 29  1  1  0  0  0
  7 30  1  6  0  0  0
  8 31  1  6  0  0  0
  9 32  1  1  0  0  0
 10 33  1  1  0  0  0
 11 34  1  1  0  0  0
 12 35  1  6  0  0  0
 13 36  1  6  0  0  0
 14 37  1  1  0  0  0
 16 38  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0056159

> <DATABASE_NAME>
MIME

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

> <INCHI_IDENTIFIER>
InChI=1S/C16H26N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-14,16,19-20,23-25H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,16+/m1/s1

> <INCHI_KEY>
QEWMGEYMXSBQHP-XYLIUAONSA-N

> <FORMULA>
C16H26N2O11

> <MOLECULAR_WEIGHT>
422.387

> <EXACT_MASS>
422.153659665

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
39.91424897844787

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-{[(2R,3S,4R,5R)-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)-6-oxooxan-3-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid

> <JCHEM_LOGP>
-3.452970965000001

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
5.791601797145702

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.179533628277294

> <JCHEM_PKA_STRONGEST_BASIC>
1.3301884627697926

> <JCHEM_POLAR_SURFACE_AREA>
211.08999999999997

> <JCHEM_REFRACTIVITY>
90.43809999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-{[(2R,3S,4R,5R)-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)-6-oxooxan-3-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JUN-22         0                                  
HETATM    1  C   UNK     0       2.667 -13.860   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.668  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667 -12.320   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       1.334 -11.550   0.000  0.00  0.00           N+0
HETATM   18  N   UNK     0      -4.001  -5.390   0.000  0.00  0.00           N+0
HETATM   19  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       4.001 -11.550   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -1.334 -10.010   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       4.001 -10.010   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   30  H   UNK     0       0.000  -1.540   0.000  0.00  0.00           H+0
HETATM   31  H   UNK     0       0.000  -6.160   0.000  0.00  0.00           H+0
HETATM   32  H   UNK     0       0.000 -10.780   0.000  0.00  0.00           H+0
HETATM   33  H   UNK     0      -4.001  -3.850   0.000  0.00  0.00           H+0
HETATM   34  H   UNK     0      -2.667  -1.540   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0      -1.334  -3.850   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0      -1.334  -8.470   0.000  0.00  0.00           H+0
HETATM   37  H   UNK     0       1.334  -8.470   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0      -2.667  -6.160   0.000  0.00  0.00           H+0
CONECT    1    5                                                            
CONECT    2    6                                                            
CONECT    3    7   19                                                       
CONECT    4    8   20                                                       
CONECT    5    1   17   21                                                  
CONECT    6    2   18   22                                                  
CONECT    7    3   11   28   30                                             
CONECT    8    4   14   27   31                                             
CONECT    9   13   15   17   32                                             
CONECT   10   12   16   18   33                                             
CONECT   11    7   12   23   34                                             
CONECT   12   10   11   24   35                                             
CONECT   13    9   14   25   36                                             
CONECT   14    8   13   29   37                                             
CONECT   15    9   26   27                                                  
CONECT   16   10   28   29   38                                             
CONECT   17    5    9                                                       
CONECT   18    6   10                                                       
CONECT   19    3                                                            
CONECT   20    4                                                            
CONECT   21    5                                                            
CONECT   22    6                                                            
CONECT   23   11                                                            
CONECT   24   12                                                            
CONECT   25   13                                                            
CONECT   26   15                                                            
CONECT   27    8   15                                                       
CONECT   28    7   16                                                       
CONECT   29   14   16                                                       
CONECT   30    7                                                            
CONECT   31    8                                                            
CONECT   32    9                                                            
CONECT   33   10                                                            
CONECT   34   11                                                            
CONECT   35   12                                                            
CONECT   36   13                                                            
CONECT   37   14                                                            
CONECT   38   16                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   78    0
END

Synonyms

Not Available

Molecular Formula

C₁₆H₂₆N₂O₁₁

Average Mass

422.387

Monoisotopic Mass

422.153659665

IUPAC Name

N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-{[(2R,3S,4R,5R)-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)-6-oxooxan-3-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid

Traditional Name

N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-{[(2R,3S,4R,5R)-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)-6-oxooxan-3-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C16H26N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-14,16,19-20,23-25H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,16+/m1/s1

InChI Key

QEWMGEYMXSBQHP-XYLIUAONSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

N-acyl-alpha-hexosamines

Alternative Parents

Substituents

N-acyl-alpha-hexosamine
Alpha-amino acid ester
N-acyl-alpha amino acid or derivatives
Glycosyl compound
O-glycosyl compound
Alpha-amino acid or derivatives
Delta valerolactone
Delta_valerolactone
Monosaccharide
Oxane
Acetamide
Carboxamide group
Carboxylic acid ester
Lactone
Secondary carboxylic acid amide
Secondary alcohol
Monocarboxylic acid or derivatives
Oxacycle
Carboxylic acid derivative
Acetal
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Alcohol
Carbonyl group
Organic nitrogen compound
Organopnictogen compound
Primary alcohol
Organonitrogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
logP	-3.5	ChemAxon
pKa (Strongest Acidic)	5.18	ChemAxon
pKa (Strongest Basic)	1.33	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	211.09 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	90.44 m³·mol⁻¹	ChemAxon
Polarizability	39.91 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

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_6_5) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	Not Available	2022-08-09	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	Not Available	2022-08-09	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	Not Available	2022-08-09	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	Not Available	2022-08-09	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	Not Available	2022-08-09	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	Not Available	2022-08-09	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-24	540.4
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	406.4
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-24	86.9
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	282.2
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	326.0
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-24	232.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	626.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	793.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	628.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	158.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	411.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	178.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	46.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	422.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	509.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	65.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	308.6
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	782.7
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	600.7

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_1	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1713.4
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_2	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2144.39
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_3	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3380.18
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_4	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2481.94
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_5	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1755.85
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_6	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2006.09
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_7	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1715.44
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_8	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2248.85
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_9	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1926.56
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_10	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1487.84
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_11	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2429.07
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_12	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1685.28
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_13	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1546.12
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_14	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	3401.13
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_15	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1575.47
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_16	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2386.03
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_17	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2818.67
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_18	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	996.603
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_19	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3357.41
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_20	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2605.9
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_21	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2707.91
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_22	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2443.53
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_23	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1256.08
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_24	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2456.33
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_25	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1736.39
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_26	CC(O)=N[C@H]1C(=O)O[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]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2859.37
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_27	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2716.21
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_28	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1909.49
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_29	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	2656.78
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_30	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2027.23
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_31	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1209.77
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_32	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2546.97
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_33	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1547.6
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_34	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1841.46
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_35	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1820.25
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_36	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1561.63
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_37	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2279.1
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_38	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[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]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2075.85
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_39	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2561.57
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_40	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1697.29
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_41	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2642.44
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_42	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2834.0
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_43	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1885.39
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_44	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	1487.1
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_45	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	2682.01
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_46	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	1947.21
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_47	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2041.07
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_48	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1100.87
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_49	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1733.81
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_50	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1654.41
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_51	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1218.7
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_52	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2348.82
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_53	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1464.28
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_54	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1475.52
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_55	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2359.38
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_56	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2333.15
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_57	CC(O)=N[C@H]1C(=O)O[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]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2250.67
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_58	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1968.29
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_59	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1393.4
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_60	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1993.26
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_61	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2220.15
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_62	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2093.99
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_63	CC(O)=N[C@H]1C(=O)O[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]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2232.57
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_64	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	1493.77
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_65	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	1583.44
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_66	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	1983.79
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_67	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2193.72
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_68	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1236.8
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_69	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1967.23
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_70	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	707.634
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_71	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2694.83
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_72	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2475.43
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_73	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1968.91
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_74	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2744.22
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_75	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2179.35
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_76	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1893.14
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_77	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1808.89
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_78	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2013.05
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_79	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1699.36
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_80	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[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]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2591.22
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_81	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[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]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1690.46
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_82	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1726.98
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_83	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1288.04
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_84	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	1928.14
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_85	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	2549.44
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_86	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2592.03
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_87	CC(=N[C@H]1C(=O)O[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]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	1066.67
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_88	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2012.57
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_89	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2543.18
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_90	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1467.3
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_91	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2392.64
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_92	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3194.6
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_93	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2541.33
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_94	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2149.3
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_95	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1602.81
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_96	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3307.74
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_97	CC(O)=N[C@H]1C(=O)O[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]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1483.43
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_98	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1066.46
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_99	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	1657.84
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_100	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	4001.55
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_101	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1905.49
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_102	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[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]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	2157.23
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_103	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1971.39
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_104	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1540.28
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_105	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2736.85
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_106	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1776.04
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_107	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2856.59
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_108	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1368.81
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_109	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1445.11
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_110	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3078.74
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_111	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2151.61
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_112	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1276.81
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_113	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[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]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2078.4
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_114	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	3263.97
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_115	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2325.92
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_116	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1888.86
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_117	CC(=N[C@H]1C(=O)O[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]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2362.42
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_118	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1787.5
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_119	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1216.66
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_120	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	2883.34
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_121	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1249.69
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_122	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	984.498
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_123	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[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]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1695.3
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_124	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1990.3
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_125	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3006.04
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_126	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	3591.51
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_1	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1620.55
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_2	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1737.96
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_3	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2125.39
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_4	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1238.75
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_5	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1790.33
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_6	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2130.54
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_7	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1795.29
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_8	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1314.3
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_9	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1368.94
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_10	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2326.33
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_11	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1368.2
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_12	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2788.11
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_13	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2012.3
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_14	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	2170.5
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_15	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2498.45
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_16	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1194.47
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_17	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2079.14
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_18	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	978.151
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_19	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2905.17
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_20	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1823.8
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_21	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1646.66
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_22	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2756.24
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_23	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1670.31
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_24	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1668.17
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_25	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1671.6
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_26	CC(O)=N[C@H]1C(=O)O[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]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2036.11
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_27	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1690.39
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_28	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2399.07
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_29	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	2500.02
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_30	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1597.44
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_31	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2984.38
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_32	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1926.47
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_33	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1373.89
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_34	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	3761.65
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_35	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2535.14
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_36	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1106.19
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_37	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2687.45
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_38	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[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]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	890.918
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_39	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1441.89
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_40	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1933.95
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_41	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1236.56
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_42	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1181.73
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_43	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1446.01
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_44	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	2550.34
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_45	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	1922.13
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_46	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	2164.15
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_47	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2173.35
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_48	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2326.24
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_49	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2219.21
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_50	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2266.94
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_51	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1677.69
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_52	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1307.34
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_53	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1892.78
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_54	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3348.28
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_55	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2555.96
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_56	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2396.25
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_57	CC(O)=N[C@H]1C(=O)O[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]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1059.03
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_58	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2864.46
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_59	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2845.43
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_60	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2524.62
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_61	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2632.85
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_62	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1466.28
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_63	CC(O)=N[C@H]1C(=O)O[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]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2009.85
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_64	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	2185.52
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_65	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	1933.39
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_66	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	1992.14
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_67	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1280.36
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_68	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1905.88
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_69	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1185.9
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_70	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1949.19
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_71	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2476.47
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_72	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2245.84
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_73	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1572.05
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_74	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2237.62
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_75	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1847.43
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_76	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1323.07
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_77	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2453.95
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_78	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1846.94
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_79	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1981.89
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_80	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[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]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1577.57
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_81	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[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]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1866.46
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_82	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1660.39
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_83	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1807.94
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_84	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	1424.34
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_85	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	968.162
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_86	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1865.8
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_87	CC(=N[C@H]1C(=O)O[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]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	1114.64
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_88	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1969.47
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_89	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2494.75
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_90	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2440.59
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_91	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3032.1
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_92	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1959.71
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_93	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2322.43
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_94	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2362.9
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_95	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1767.73
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_96	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3136.56
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_97	CC(O)=N[C@H]1C(=O)O[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]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2082.34
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_98	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	917.044
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_99	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	2787.01
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_100	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	1483.63
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_101	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1987.1
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_102	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[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]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	1373.95
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_103	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2909.01
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_104	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1764.44
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_105	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1899.83
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_106	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3686.33
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_107	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2922.57
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_108	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1591.98
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_109	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2843.93
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_110	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	876.922
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_111	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	918.474
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_112	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2139.71
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_113	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[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]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1959.91
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_114	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	772.123
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_115	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2261.81
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_116	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3614.66
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_117	CC(=N[C@H]1C(=O)O[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]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2405.3
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_118	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	777.598
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_119	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3134.92
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_120	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	401.941
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_121	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1705.17
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_122	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1406.43
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_123	CC(=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[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]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1904.84
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_124	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2220.75
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_125	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1654.59
Gas Chromatography	N,N'-diacetylchitobiono-1,5-lactone_TMS_126	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1420.44

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

394985

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

448063

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for N,N'-diacetylchitobiono-1,5-lactone (MMDBc0056159)

MOL for #<Metabolite:0x00007fc93b8328c0>

3D MOL for #<Metabolite:0x00007fc93b8328c0>

3D SDF for #<Metabolite:0x00007fc93b8328c0>

3D-SDF for #<Metabolite:0x00007fc93b8328c0>

PDB for #<Metabolite:0x00007fc93b8328c0>

3D PDB for #<Metabolite:0x00007fc93b8328c0>

SMILES for #<Metabolite:0x00007fc93b8328c0>

INCHI for #<Metabolite:0x00007fc93b8328c0>

Structure for #<Metabolite:0x00007fc93b8328c0>

3D Structure for #<Metabolite:0x00007fc93b8328c0>