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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:06:02 UTC

Update Date

2022-03-07 02:55:32 UTC

HMDB ID

HMDB0037842

Secondary Accession Numbers

HMDB37842

Metabolite Identification

Common Name

N-(1-Deoxy-1-fructosyl)serine

Description

N-(1-Deoxy-1-fructosyl)serine belongs to the class of organic compounds known as serine and derivatives. Serine and derivatives are compounds containing serine or a derivative thereof resulting from reaction of serine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review very few articles have been published on N-(1-Deoxy-1-fructosyl)serine.

Structure

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

HMDB0037842
     RDKit          3D
N-(1-Deoxy-1-fructosyl)serine
 35 35  0  0  0  0  0  0  0  0999 V2000
   -2.5822    0.6358    2.0277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3334    0.9398    1.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5418    1.5863    1.3727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9391    0.6169   -0.3015 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9958   -0.2941   -0.9075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7596   -0.5468   -2.2499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6617    0.0015   -0.4189 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6041    0.8655   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7473    0.1935   -0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9155   -0.1319   -1.4719 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6932    1.0458    0.3720 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7850    0.3276    0.8116 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9616    0.6622   -0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1188   -0.0170    0.3201 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185   -1.1390    0.7694 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8449   -1.8458    1.8684 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8851   -1.0343    0.7039 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3450   -2.1735    0.1419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6764    2.4775    0.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9516    1.5784   -0.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9958    0.1531   -0.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9403   -1.2728   -0.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6163   -1.5183   -2.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6246   -0.9230    0.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5665    1.7011   -0.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6821    1.3082    0.9897 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2170    0.6158   -2.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9633    0.5964    1.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7494    0.4134   -1.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1219    1.7677    0.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8707    0.6100    0.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7782   -1.5292   -0.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2548   -2.6855    1.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5220   -0.8329    1.7205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2790   -2.1524   -0.8308 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17  9  1  0
  3 19  1  0
  4 20  1  6
  5 21  1  0
  5 22  1  0
  6 23  1  0
  7 24  1  0
  8 25  1  0
  8 26  1  0
 10 27  1  0
 12 28  1  1
 13 29  1  0
 13 30  1  0
 14 31  1  0
 15 32  1  6
 16 33  1  0
 17 34  1  1
 18 35  1  0
M  END


  Mrv0541 01231308402D          

 18 18  0  0  0  0            999 V2000
   -2.8382   11.0858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5056   10.6008    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2507    9.8163    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4257    9.8163    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1708   10.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862   10.8558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9408    9.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7356    9.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2903   10.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9034   10.3037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6384   11.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6384   10.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0761    9.8185    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0761    8.9935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7905    8.5810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6384    8.5810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7905   10.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5874   10.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  1  0  0  0
  3  8  1  6  0  0  0
  2  9  1  1  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 13 17  1  1  0  0  0
  5 18  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037842

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H17NO8/c11-1-4(8(15)16)10-3-9(17)7(14)6(13)5(2-12)18-9/h4-7,10-14,17H,1-3H2,(H,15,16)/t4-,5+,6+,7-,9?/m0/s1

> <INCHI_KEY>
KUVQLWYPNUQGDT-MBGOVIFWSA-N

> <FORMULA>
C9H17NO8

> <MOLECULAR_WEIGHT>
267.2332

> <EXACT_MASS>
267.095416525

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
23.94998459999761

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-3-hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid

> <ALOGPS_LOGP>
-2.86

> <JCHEM_LOGP>
-5.805041011885761

> <ALOGPS_LOGS>
-0.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.667559506134705

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.682839434530934

> <JCHEM_PKA_STRONGEST_BASIC>
6.686720301766643

> <JCHEM_POLAR_SURFACE_AREA>
159.71

> <JCHEM_REFRACTIVITY>
54.915099999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.72e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-3-hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037842
     RDKit          3D
N-(1-Deoxy-1-fructosyl)serine
 35 35  0  0  0  0  0  0  0  0999 V2000
   -2.5822    0.6358    2.0277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3334    0.9398    1.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5418    1.5863    1.3727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9391    0.6169   -0.3015 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9958   -0.2941   -0.9075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7596   -0.5468   -2.2499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6617    0.0015   -0.4189 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6041    0.8655   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7473    0.1935   -0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9155   -0.1319   -1.4719 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6932    1.0458    0.3720 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7850    0.3276    0.8116 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9616    0.6622   -0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1188   -0.0170    0.3201 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185   -1.1390    0.7694 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8449   -1.8458    1.8684 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8851   -1.0343    0.7039 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3450   -2.1735    0.1419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6764    2.4775    0.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9516    1.5784   -0.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9958    0.1531   -0.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9403   -1.2728   -0.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6163   -1.5183   -2.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6246   -0.9230    0.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5665    1.7011   -0.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6821    1.3082    0.9897 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2170    0.6158   -2.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9633    0.5964    1.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7494    0.4134   -1.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1219    1.7677    0.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8707    0.6100    0.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7782   -1.5292   -0.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2548   -2.6855    1.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5220   -0.8329    1.7205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2790   -2.1524   -0.8308 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17  9  1  0
  3 19  1  0
  4 20  1  6
  5 21  1  0
  5 22  1  0
  6 23  1  0
  7 24  1  0
  8 25  1  0
  8 26  1  0
 10 27  1  0
 12 28  1  1
 13 29  1  0
 13 30  1  0
 14 31  1  0
 15 32  1  6
 16 33  1  0
 17 34  1  1
 18 35  1  0
M  END

HEADER    PROTEIN                                 23-JAN-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-JAN-13         0                                  
HETATM    1  O   UNK     0      -5.298  20.693   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -6.544  19.788   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.068  18.324   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.528  18.324   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.052  19.788   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -2.588  20.264   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      -3.623  17.078   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      -6.973  17.078   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -8.009  20.264   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -9.153  19.234   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       1.192  20.638   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.192  19.098   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.142  18.328   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.142  16.788   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -1.476  16.018   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       1.192  16.018   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0      -1.476  19.098   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      -2.963  18.699   0.000  0.00  0.00           C+0
CONECT    1    2    5                                                       
CONECT    2    1    3    9                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5    7                                                  
CONECT    5    4    1    6   18                                             
CONECT    6    5                                                            
CONECT    7    4                                                            
CONECT    8    3                                                            
CONECT    9    2   10                                                       
CONECT   10    9                                                            
CONECT   11   12                                                            
CONECT   12   11   13                                                       
CONECT   13   12   14   17                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   13   18                                                       
CONECT   18    5   17                                                       
MASTER        0    0    0    0    0    0    0    0   18    0   36    0
END

COMPND    HMDB0037842
HETATM    1  O1  UNL     1      -2.582   0.636   2.028  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.333   0.940   1.082  1.00  0.00           C  
HETATM    3  O2  UNL     1      -4.542   1.586   1.373  1.00  0.00           O  
HETATM    4  C2  UNL     1      -2.939   0.617  -0.302  1.00  0.00           C  
HETATM    5  C3  UNL     1      -3.996  -0.294  -0.908  1.00  0.00           C  
HETATM    6  O3  UNL     1      -3.760  -0.547  -2.250  1.00  0.00           O  
HETATM    7  N1  UNL     1      -1.662   0.002  -0.419  1.00  0.00           N  
HETATM    8  C4  UNL     1      -0.604   0.865  -0.002  1.00  0.00           C  
HETATM    9  C5  UNL     1       0.747   0.194  -0.135  1.00  0.00           C  
HETATM   10  O4  UNL     1       0.916  -0.132  -1.472  1.00  0.00           O  
HETATM   11  O5  UNL     1       1.693   1.046   0.372  1.00  0.00           O  
HETATM   12  C6  UNL     1       2.785   0.328   0.812  1.00  0.00           C  
HETATM   13  C7  UNL     1       3.962   0.662  -0.046  1.00  0.00           C  
HETATM   14  O6  UNL     1       5.119  -0.017   0.320  1.00  0.00           O  
HETATM   15  C8  UNL     1       2.419  -1.139   0.769  1.00  0.00           C  
HETATM   16  O7  UNL     1       2.845  -1.846   1.868  1.00  0.00           O  
HETATM   17  C9  UNL     1       0.885  -1.034   0.704  1.00  0.00           C  
HETATM   18  O8  UNL     1       0.345  -2.173   0.142  1.00  0.00           O  
HETATM   19  H1  UNL     1      -4.676   2.478   0.887  1.00  0.00           H  
HETATM   20  H2  UNL     1      -2.952   1.578  -0.872  1.00  0.00           H  
HETATM   21  H3  UNL     1      -4.996   0.153  -0.785  1.00  0.00           H  
HETATM   22  H4  UNL     1      -3.940  -1.273  -0.353  1.00  0.00           H  
HETATM   23  H5  UNL     1      -3.616  -1.518  -2.420  1.00  0.00           H  
HETATM   24  H6  UNL     1      -1.625  -0.923   0.043  1.00  0.00           H  
HETATM   25  H7  UNL     1      -0.567   1.701  -0.768  1.00  0.00           H  
HETATM   26  H8  UNL     1      -0.682   1.308   0.990  1.00  0.00           H  
HETATM   27  H9  UNL     1       1.217   0.616  -2.017  1.00  0.00           H  
HETATM   28  H10 UNL     1       2.963   0.596   1.882  1.00  0.00           H  
HETATM   29  H11 UNL     1       3.749   0.413  -1.087  1.00  0.00           H  
HETATM   30  H12 UNL     1       4.122   1.768   0.044  1.00  0.00           H  
HETATM   31  H13 UNL     1       5.871   0.610   0.159  1.00  0.00           H  
HETATM   32  H14 UNL     1       2.778  -1.529  -0.199  1.00  0.00           H  
HETATM   33  H15 UNL     1       3.255  -2.685   1.543  1.00  0.00           H  
HETATM   34  H16 UNL     1       0.522  -0.833   1.720  1.00  0.00           H  
HETATM   35  H17 UNL     1       0.279  -2.152  -0.831  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   19
CONECT    4    5    7   20
CONECT    5    6   21   22
CONECT    6   23
CONECT    7    8   24
CONECT    8    9   25   26
CONECT    9   10   11   17
CONECT   10   27
CONECT   11   12
CONECT   12   13   15   28
CONECT   13   14   29   30
CONECT   14   31
CONECT   15   16   17   32
CONECT   16   33
CONECT   17   18   34
CONECT   18   35
END

HMDB0037842
     RDKit          3D
N-(1-Deoxy-1-fructosyl)serine
 35 35  0  0  0  0  0  0  0  0999 V2000
   -2.5822    0.6358    2.0277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3334    0.9398    1.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5418    1.5863    1.3727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9391    0.6169   -0.3015 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9958   -0.2941   -0.9075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7596   -0.5468   -2.2499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6617    0.0015   -0.4189 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6041    0.8655   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7473    0.1935   -0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9155   -0.1319   -1.4719 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6932    1.0458    0.3720 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7850    0.3276    0.8116 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9616    0.6622   -0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1188   -0.0170    0.3201 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185   -1.1390    0.7694 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8449   -1.8458    1.8684 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8851   -1.0343    0.7039 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3450   -2.1735    0.1419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6764    2.4775    0.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9516    1.5784   -0.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9958    0.1531   -0.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9403   -1.2728   -0.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6163   -1.5183   -2.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6246   -0.9230    0.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5665    1.7011   -0.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6821    1.3082    0.9897 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2170    0.6158   -2.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9633    0.5964    1.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7494    0.4134   -1.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1219    1.7677    0.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8707    0.6100    0.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7782   -1.5292   -0.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2548   -2.6855    1.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5220   -0.8329    1.7205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2790   -2.1524   -0.8308 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17  9  1  0
  3 19  1  0
  4 20  1  6
  5 21  1  0
  5 22  1  0
  6 23  1  0
  7 24  1  0
  8 25  1  0
  8 26  1  0
 10 27  1  0
 12 28  1  1
 13 29  1  0
 13 30  1  0
 14 31  1  0
 15 32  1  6
 16 33  1  0
 17 34  1  1
 18 35  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
1-[(1-Carboxy-2-hydroxyethyl)amino]-1-deoxyfructose, 9ci	HMDB
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoate	Generator

Chemical Formula

C₉H₁₇NO₈

Average Molecular Weight

267.2332

Monoisotopic Molecular Weight

267.095416525

IUPAC Name

(2S)-3-hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid

Traditional Name

(2S)-3-hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid

CAS Registry Number

87251-79-4

SMILES

OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O

InChI Identifier

InChI=1S/C9H17NO8/c11-1-4(8(15)16)10-3-9(17)7(14)6(13)5(2-12)18-9/h4-7,10-14,17H,1-3H2,(H,15,16)/t4-,5+,6+,7-,9?/m0/s1

InChI Key

KUVQLWYPNUQGDT-MBGOVIFWSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as serine and derivatives. Serine and derivatives are compounds containing serine or a derivative thereof resulting from reaction of serine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Serine and derivatives

Alternative Parents

Substituents

Serine or derivatives
C-glycosyl compound
Glycosyl compound
Alpha-amino acid
Pentose monosaccharide
L-alpha-amino acid
Beta-hydroxy acid
Hydroxy acid
Monosaccharide
Tetrahydrofuran
Amino acid
Hemiacetal
Secondary alcohol
Organoheterocyclic compound
Polyol
Secondary amine
Carboxylic acid
Secondary aliphatic amine
Oxacycle
Monocarboxylic acid or derivatives
Primary alcohol
Alcohol
Organopnictogen compound
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Carbonyl group
Organic nitrogen compound
Hydrocarbon derivative
Amine
Organic oxide
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Food (HMDB: HMDB0037842)

Not Available

Nutrient (HMDB: HMDB0037842)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	110 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	172 g/L	ALOGPS
logP	-2.9	ALOGPS
logP	-5.8	ChemAxon
logS	-0.19	ALOGPS
pKa (Strongest Acidic)	2.68	ChemAxon
pKa (Strongest Basic)	6.69	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	159.71 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	54.92 m³·mol⁻¹	ChemAxon
Polarizability	23.95 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	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]+	161.41	31661259
DarkChem	[M-H]-	157.711	31661259
DeepCCS	[M+H]+	158.396	30932474
DeepCCS	[M-H]-	156.038	30932474
DeepCCS	[M-2H]-	189.734	30932474
DeepCCS	[M+Na]+	165.889	30932474
AllCCS	[M+H]+	158.3	32859911
AllCCS	[M+H-H2O]+	155.0	32859911
AllCCS	[M+NH4]+	161.4	32859911
AllCCS	[M+Na]+	162.3	32859911
AllCCS	[M-H]-	155.9	32859911
AllCCS	[M+Na-2H]-	156.0	32859911
AllCCS	[M+HCOO]-	156.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
N-(1-Deoxy-1-fructosyl)serine	OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O	3786.7	Standard polar	33892256
N-(1-Deoxy-1-fructosyl)serine	OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O	2268.1	Standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine	OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O	2386.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
N-(1-Deoxy-1-fructosyl)serine,1TMS,isomer #1	C[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O	2342.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,1TMS,isomer #2	C[Si](C)(C)OC1(CN[C@@H](CO)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O	2452.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,1TMS,isomer #3	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CO)C(=O)O)[C@@H](O)[C@@H]1O	2410.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,1TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN[C@@H](CO)C(=O)O)O[C@@H]1CO	2427.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,1TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN[C@@H](CO)C(=O)O	2444.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,1TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CO)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O	2330.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,1TMS,isomer #7	C[Si](C)(C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H](CO)C(=O)O	2426.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TMS,isomer #1	C[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O	2365.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN[C@@H](CO)C(=O)O)O[Si](C)(C)C	2420.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TMS,isomer #11	C[Si](C)(C)OC1(CN([C@@H](CO)C(=O)O)[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2445.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TMS,isomer #12	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CO)C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2340.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TMS,isomer #13	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CO)C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2401.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TMS,isomer #14	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CO)C(=O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2379.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TMS,isomer #15	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CO)C(=O)O)[Si](C)(C)C)[C@@H](O)[C@@H]1O	2410.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TMS,isomer #16	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(O)CN[C@@H](CO)C(=O)O	2404.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CO)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2346.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TMS,isomer #18	C[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN([C@@H](CO)C(=O)O)[Si](C)(C)C)O[C@@H]1CO	2411.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H](CO)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2365.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TMS,isomer #2	C[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O	2324.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN([C@@H](CO)C(=O)O)[Si](C)(C)C	2428.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H](CO)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2387.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TMS,isomer #3	C[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O	2333.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TMS,isomer #4	C[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O	2351.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TMS,isomer #5	C[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C	2246.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TMS,isomer #6	C[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2412.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CO)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2360.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TMS,isomer #8	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CO)C(=O)O)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2405.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)C(CN[C@@H](CO)C(=O)O)(O[Si](C)(C)C)O[C@@H]1CO	2414.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #1	C[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O	2325.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #10	C[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O	2330.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #11	C[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C	2270.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #12	C[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2414.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #13	C[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2275.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #14	C[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2423.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #15	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2364.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #16	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CO)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2336.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CO)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2356.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H](CO)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2348.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H](CO)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2401.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #2	C[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O	2354.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #20	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CO)C(=O)O)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2382.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #21	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CO)C(=O)O)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2375.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #22	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CO)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2430.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #23	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(CN[C@@H](CO)C(=O)O)O[Si](C)(C)C	2370.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #24	C[Si](C)(C)O[C@H]1[C@H](O)C(CN([C@@H](CO)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)O[C@@H]1CO	2429.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #25	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN([C@@H](CO)C(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2432.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #26	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CO)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2344.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #27	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CO)C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2314.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #28	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@@H]1O	2389.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #29	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CO)C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2362.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #3	C[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O	2339.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #30	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CO)C(=O)O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2425.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #31	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CO)C(=O)O)[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2402.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #32	C[Si](C)(C)OC(=O)[C@H](CO)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2337.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #33	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(O)CN([C@@H](CO)C(=O)O)[Si](C)(C)C	2402.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #34	C[Si](C)(C)OC(=O)[C@H](CO)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2392.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #35	C[Si](C)(C)OC(=O)[C@H](CO)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2401.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #4	C[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C	2279.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #5	C[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2426.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #6	C[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O	2306.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #7	C[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O	2335.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #8	C[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C	2242.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TMS,isomer #9	C[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2399.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #1	C[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O	2334.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #10	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2380.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #11	C[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O	2325.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #12	C[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C	2265.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #13	C[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2387.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #14	C[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2295.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #15	C[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2412.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #16	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2353.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #17	C[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2288.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #18	C[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2390.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #19	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2374.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #2	C[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O	2337.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #20	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2384.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #21	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CO)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2337.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #22	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CO)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2329.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #23	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2386.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #24	C[Si](C)(C)OC(=O)[C@H](CO)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2321.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H](CO)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2380.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CO)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2387.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #27	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CO)C(=O)O)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2358.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #28	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CO)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2418.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #29	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CO)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2409.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #3	C[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C	2280.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #30	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(CN([C@@H](CO)C(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2407.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #31	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CO)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2320.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #32	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2391.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #33	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2366.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #34	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CO)C(=O)O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2385.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #35	C[Si](C)(C)OC(=O)[C@H](CO)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2371.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #4	C[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2406.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #5	C[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O	2338.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #6	C[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C	2305.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #7	C[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2404.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #8	C[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2298.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TMS,isomer #9	C[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2405.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TMS,isomer #1	C[Si](C)(C)OC[C@H](NCC1(O[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)C(=O)O	2335.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TMS,isomer #10	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2400.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TMS,isomer #11	C[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2298.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TMS,isomer #12	C[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2382.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TMS,isomer #13	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2364.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TMS,isomer #14	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2393.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TMS,isomer #15	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2377.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TMS,isomer #16	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CO)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2321.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TMS,isomer #17	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2388.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TMS,isomer #18	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2381.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H](CO)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2393.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TMS,isomer #2	C[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C	2292.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TMS,isomer #20	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CO)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2413.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TMS,isomer #21	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2374.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TMS,isomer #3	C[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O[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	2395.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TMS,isomer #4	C[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2302.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TMS,isomer #5	C[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2412.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TMS,isomer #6	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2381.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TMS,isomer #7	C[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2300.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TMS,isomer #8	C[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2410.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TMS,isomer #9	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2390.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,6TMS,isomer #1	C[Si](C)(C)OC[C@H](NCC1(O[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)C(=O)O[Si](C)(C)C	2318.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,6TMS,isomer #2	C[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O[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)[Si](C)(C)C	2432.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,6TMS,isomer #3	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[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	2405.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,6TMS,isomer #4	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2416.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,6TMS,isomer #5	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2423.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,6TMS,isomer #6	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2398.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,6TMS,isomer #7	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2420.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,7TMS,isomer #1	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[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)[Si](C)(C)C	2459.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,7TMS,isomer #1	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[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)[Si](C)(C)C	2444.8	Standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O	2591.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1(CN[C@@H](CO)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O	2691.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CO)C(=O)O)[C@@H](O)[C@@H]1O	2660.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN[C@@H](CO)C(=O)O)O[C@@H]1CO	2659.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN[C@@H](CO)C(=O)O	2665.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O	2578.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H](CO)C(=O)O	2660.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O	2829.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN[C@@H](CO)C(=O)O)O[Si](C)(C)C(C)(C)C	2886.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1(CN([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2921.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	2810.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CO)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2861.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CO)C(=O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2832.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	2893.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)OC1(O)CN[C@@H](CO)C(=O)O	2867.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2824.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C)O[C@@H]1CO	2902.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2836.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O	2786.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C	2917.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	2853.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O	2804.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	2817.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	2777.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	2876.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2834.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CO)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	2864.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(CN[C@@H](CO)C(=O)O)(O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	2884.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O	3025.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	3026.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	3018.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3110.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3028.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3131.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3083.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3047.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3066.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3064.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3113.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O	3047.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CO)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3068.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CO)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3053.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3125.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)OC1(CN[C@@H](CO)C(=O)O)O[Si](C)(C)C(C)(C)C	3059.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(CN([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3133.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3133.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3060.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3028.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3085.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CO)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3039.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	3043.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3136.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3092.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3055.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)OC1(O)CN([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C	3109.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3108.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3117.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	3031.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3117.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O	2989.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	3033.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	2987.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3081.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O	3200.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3308.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	3210.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	3190.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3278.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3223.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3330.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3270.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3219.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3311.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3305.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	3221.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3327.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3234.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3213.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3311.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3225.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3327.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3326.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CO)C(=O)O)(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	3221.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3334.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3320.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	3197.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)OC1(CN([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3328.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CO)C(=O)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	3230.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3324.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3282.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CO)C(=O)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	3300.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3311.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3311.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	3212.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	3213.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3328.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3215.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3330.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	3404.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3489.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3399.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3478.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3461.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3489.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3486.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)(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	3390.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3493.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3482.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3494.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	3371.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C)(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	3502.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[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	3472.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3488.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3381.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3501.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3471.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3374.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3505.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)serine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3492.5	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - N-(1-Deoxy-1-fructosyl)serine GC-MS (Non-derivatized) - 70eV, Positive	splash10-00di-9230000000-03f4d887a26b1a9098f0	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-(1-Deoxy-1-fructosyl)serine GC-MS (5 TMS) - 70eV, Positive	splash10-03di-6401179000-c2ca6630932ed0689d48	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-(1-Deoxy-1-fructosyl)serine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)serine 10V, Positive-QTOF	splash10-0gb9-3590000000-f6c6756c7424fdf17d53	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)serine 20V, Positive-QTOF	splash10-0uk9-4490000000-99074fb8cc0cf33a3e89	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)serine 40V, Positive-QTOF	splash10-0v4l-9500000000-f8ea3efdb1c58bd81bbc	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)serine 10V, Negative-QTOF	splash10-014i-2590000000-40ccb3b77aa3e4ddea68	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)serine 20V, Negative-QTOF	splash10-0v4s-3390000000-e578216fd4ab3b1b1e4a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)serine 40V, Negative-QTOF	splash10-0006-9100000000-02b644a904ace12d303e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)serine 10V, Positive-QTOF	splash10-0gc0-0090000000-080feeec4d5e1e95af5d	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)serine 20V, Positive-QTOF	splash10-014i-3940000000-787ff72cbd74010893cb	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)serine 40V, Positive-QTOF	splash10-0nmi-9600000000-03f630a826b2db42235e	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)serine 10V, Negative-QTOF	splash10-014i-0390000000-80a6d875e85360b2e9d6	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)serine 20V, Negative-QTOF	splash10-0avj-7910000000-6c30ffd8bbd2d5b68640	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)serine 40V, Negative-QTOF	splash10-0pi3-9300000000-6d625e7ddef93b6e8ce5	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB016993

KNApSAcK ID

Not Available

Chemspider ID

35014479

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131752245

PDB ID

Not Available

ChEBI ID

143248

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for N-(1-Deoxy-1-fructosyl)serine (HMDB0037842)

MOL for HMDB0037842 (N-(1-Deoxy-1-fructosyl)serine)

3D MOL for HMDB0037842 (N-(1-Deoxy-1-fructosyl)serine)

3D SDF for HMDB0037842 (N-(1-Deoxy-1-fructosyl)serine)

3D-SDF for HMDB0037842 (N-(1-Deoxy-1-fructosyl)serine)

PDB for HMDB0037842 (N-(1-Deoxy-1-fructosyl)serine)

3D PDB for HMDB0037842 (N-(1-Deoxy-1-fructosyl)serine)

SMILES for HMDB0037842 (N-(1-Deoxy-1-fructosyl)serine)

INCHI for HMDB0037842 (N-(1-Deoxy-1-fructosyl)serine)

Structure for HMDB0037842 (N-(1-Deoxy-1-fructosyl)serine)

3D Structure for HMDB0037842 (N-(1-Deoxy-1-fructosyl)serine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra