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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2022-09-22 18:34:13 UTC

HMDB ID

HMDB0000489

Secondary Accession Numbers

HMDB0001515
HMDB00489
HMDB01515

Metabolite Identification

Common Name

Aspartylglycosamine

Description

Aspartylglycosamine, also known as n4-(beta-N-acetyl-D-glucosaminyl)-L-asparagine or 1-beta-aspartyl-N-acetyl-D-glucosaminylamine, is a member of the class of compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). Aspartylglycosamine is soluble (in water) and a moderately acidic compound (based on its pKa). Aspartylglycosamine can be found primarily in urine, as well as in human spleen tissue. Within the cell, aspartylglycosamine is primarily located in the cytoplasm. Moreover, aspartylglycosamine is found to be associated with aspartylglucosaminuria, which is an inborn error of metabolism. Large amount of aspartylglycosamine appears in patients with aspartylglycosaminuria corresponding to decreased activity of aspartylglycosamine amido hydrolase.

Structure

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

HMDB0000489
     RDKit          3D
Aspartylglycosamine
 44 44  0  0  0  0  0  0  0  0999 V2000
   -0.9245   -2.0528   -3.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4518   -1.7239   -2.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1228   -2.6035   -1.5977 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2290   -0.4492   -1.5899 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7175   -0.0861   -0.3037 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6180    0.2078    0.7031 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4430   -0.7418    0.6852 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7656   -0.3220    0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9938    0.8886    0.1757 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9038   -1.2670    0.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1867   -0.5593    0.0490 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1664    0.0949   -1.2289 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3439   -1.4879    0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5527   -2.1721    1.1483 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2092   -1.6215   -0.9736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2198    0.3210    1.9658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9316    1.5044    1.9730 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3698    1.9541    3.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3336    2.1718    4.2032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1434    1.3050    1.0864 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9881    2.3860    1.2011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5975    1.1589   -0.3323 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5824    1.0984   -1.2794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4978   -2.9104   -3.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0749   -1.2258   -4.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1687   -2.2424   -3.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6707    0.2385   -2.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2925   -0.9655    0.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2501    1.2390    0.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2816   -1.7472    0.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0463   -1.7109    1.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7165   -2.1272   -0.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3424    0.2374    0.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1313    1.1259   -1.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4207   -0.3139   -1.8675 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2222   -1.6733   -0.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2935    2.2685    1.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1597    1.2892    3.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8785    2.9504    3.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7370    2.4819    5.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6539    0.3683    1.3993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8969    2.1122    1.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9111    2.0181   -0.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3485    0.5836   -0.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
  6 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  5  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  5 28  1  1
  6 29  1  6
  7 30  1  0
 10 31  1  0
 10 32  1  0
 11 33  1  1
 12 34  1  0
 12 35  1  0
 15 36  1  0
 17 37  1  6
 18 38  1  0
 18 39  1  0
 19 40  1  0
 20 41  1  1
 21 42  1  0
 22 43  1  6
 23 44  1  0
M  END


  Mrv0541 02231218332D          

 23 23  0  0  1  0            999 V2000
   13.7416   -4.5907    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.7427   -5.4191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4587   -5.8321    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.1755   -5.4182    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.1755   -4.5905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.4586   -4.1766    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0271   -4.1782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8899   -4.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4587   -6.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8899   -5.8307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3125   -4.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5982   -4.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8837   -4.5909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1693   -4.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4549   -4.5909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1693   -3.3534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3125   -5.4159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8837   -5.4159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4586   -3.3516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1731   -2.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1731   -2.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8875   -3.3516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7442   -7.0695    0.0000 O   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
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  1  0  0  0
  5  8  1  1  0  0  0
  3  9  1  1  0  0  0
  4 10  1  6  0  0  0
  7 11  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
 11 17  2  0  0  0  0
 13 18  1  6  0  0  0
  6 19  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
  9 23  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000489

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C12H21N3O8/c1-4(17)14-8-10(20)9(19)6(3-16)23-11(8)15-7(18)2-5(13)12(21)22/h5-6,8-11,16,19-20H,2-3,13H2,1H3,(H,14,17)(H,15,18)(H,21,22)/t5-,6+,8+,9+,10+,11+/m0/s1

> <INCHI_KEY>
YTTRPBWEMMPYSW-HRRFRDKFSA-N

> <FORMULA>
C12H21N3O8

> <MOLECULAR_WEIGHT>
335.3104

> <EXACT_MASS>
335.132864663

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
31.802894043023446

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-3-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl}propanoic acid

> <ALOGPS_LOGP>
-3.12

> <JCHEM_LOGP>
-6.7676290688800425

> <ALOGPS_LOGS>
-0.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.564777451206412

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.576209055900363

> <JCHEM_PKA_STRONGEST_BASIC>
8.432605335669903

> <JCHEM_POLAR_SURFACE_AREA>
191.44

> <JCHEM_REFRACTIVITY>
72.015

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.91e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
acetylglucosaminylasparagine

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000489
     RDKit          3D
Aspartylglycosamine
 44 44  0  0  0  0  0  0  0  0999 V2000
   -0.9245   -2.0528   -3.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4518   -1.7239   -2.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1228   -2.6035   -1.5977 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2290   -0.4492   -1.5899 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7175   -0.0861   -0.3037 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6180    0.2078    0.7031 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4430   -0.7418    0.6852 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7656   -0.3220    0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9938    0.8886    0.1757 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9038   -1.2670    0.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1867   -0.5593    0.0490 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1664    0.0949   -1.2289 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3439   -1.4879    0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5527   -2.1721    1.1483 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2092   -1.6215   -0.9736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2198    0.3210    1.9658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9316    1.5044    1.9730 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3698    1.9541    3.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3336    2.1718    4.2032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1434    1.3050    1.0864 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9881    2.3860    1.2011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5975    1.1589   -0.3323 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5824    1.0984   -1.2794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4978   -2.9104   -3.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0749   -1.2258   -4.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1687   -2.2424   -3.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6707    0.2385   -2.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2925   -0.9655    0.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2501    1.2390    0.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2816   -1.7472    0.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0463   -1.7109    1.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7165   -2.1272   -0.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3424    0.2374    0.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1313    1.1259   -1.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4207   -0.3139   -1.8675 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2222   -1.6733   -0.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2935    2.2685    1.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1597    1.2892    3.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8785    2.9504    3.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7370    2.4819    5.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6539    0.3683    1.3993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8969    2.1122    1.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9111    2.0181   -0.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3485    0.5836   -0.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
  6 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  5  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  5 28  1  1
  6 29  1  6
  7 30  1  0
 10 31  1  0
 10 32  1  0
 11 33  1  1
 12 34  1  0
 12 35  1  0
 15 36  1  0
 17 37  1  6
 18 38  1  0
 18 39  1  0
 19 40  1  0
 20 41  1  1
 21 42  1  0
 22 43  1  6
 23 44  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      25.651  -8.569   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      25.653 -10.116   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      26.990 -10.887   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      28.328 -10.114   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      28.328  -8.569   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      26.989  -7.796   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      24.317  -7.799   0.000  0.00  0.00           N+0
HETATM    8  O   UNK     0      29.661  -7.799   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      26.990 -12.427   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      29.661 -10.884   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      22.983  -8.569   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      21.650  -7.800   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      20.316  -8.570   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      18.983  -7.800   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      17.649  -8.570   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      18.983  -6.260   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      22.983 -10.110   0.000  0.00  0.00           O+0
HETATM   18  N   UNK     0      20.316 -10.110   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0      26.989  -6.256   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      28.323  -5.487   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      28.323  -3.947   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      29.657  -6.256   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      25.656 -13.196   0.000  0.00  0.00           O+0
CONECT    1    2    6    7                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4    9                                                  
CONECT    4    3    5   10                                                  
CONECT    5    4    6    8                                                  
CONECT    6    5    1   19                                                  
CONECT    7    1   11                                                       
CONECT    8    5                                                            
CONECT    9    3   23                                                       
CONECT   10    4                                                            
CONECT   11    7   12   17                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   18                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   11                                                            
CONECT   18   13                                                            
CONECT   19    6   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23    9                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

COMPND    HMDB0000489
HETATM    1  C1  UNL     1      -0.924  -2.053  -3.546  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.452  -1.724  -2.210  1.00  0.00           C  
HETATM    3  O1  UNL     1      -2.123  -2.604  -1.598  1.00  0.00           O  
HETATM    4  N1  UNL     1      -1.229  -0.449  -1.590  1.00  0.00           N  
HETATM    5  C3  UNL     1      -1.718  -0.086  -0.304  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.618   0.208   0.703  1.00  0.00           C  
HETATM    7  N2  UNL     1       0.443  -0.742   0.685  1.00  0.00           N  
HETATM    8  C5  UNL     1       1.766  -0.322   0.407  1.00  0.00           C  
HETATM    9  O2  UNL     1       1.994   0.889   0.176  1.00  0.00           O  
HETATM   10  C6  UNL     1       2.904  -1.267   0.377  1.00  0.00           C  
HETATM   11  C7  UNL     1       4.187  -0.559   0.049  1.00  0.00           C  
HETATM   12  N3  UNL     1       4.166   0.095  -1.229  1.00  0.00           N  
HETATM   13  C8  UNL     1       5.344  -1.488   0.105  1.00  0.00           C  
HETATM   14  O3  UNL     1       5.553  -2.172   1.148  1.00  0.00           O  
HETATM   15  O4  UNL     1       6.209  -1.621  -0.974  1.00  0.00           O  
HETATM   16  O5  UNL     1      -1.220   0.321   1.966  1.00  0.00           O  
HETATM   17  C9  UNL     1      -1.932   1.504   1.973  1.00  0.00           C  
HETATM   18  C10 UNL     1      -2.370   1.954   3.333  1.00  0.00           C  
HETATM   19  O6  UNL     1      -1.334   2.172   4.203  1.00  0.00           O  
HETATM   20  C11 UNL     1      -3.143   1.305   1.086  1.00  0.00           C  
HETATM   21  O7  UNL     1      -3.988   2.386   1.201  1.00  0.00           O  
HETATM   22  C12 UNL     1      -2.597   1.159  -0.332  1.00  0.00           C  
HETATM   23  O8  UNL     1      -3.582   1.098  -1.279  1.00  0.00           O  
HETATM   24  H1  UNL     1      -1.498  -2.910  -3.946  1.00  0.00           H  
HETATM   25  H2  UNL     1      -1.075  -1.226  -4.271  1.00  0.00           H  
HETATM   26  H3  UNL     1       0.169  -2.242  -3.533  1.00  0.00           H  
HETATM   27  H4  UNL     1      -0.671   0.238  -2.137  1.00  0.00           H  
HETATM   28  H5  UNL     1      -2.293  -0.966   0.100  1.00  0.00           H  
HETATM   29  H6  UNL     1      -0.250   1.239   0.471  1.00  0.00           H  
HETATM   30  H7  UNL     1       0.282  -1.747   0.871  1.00  0.00           H  
HETATM   31  H8  UNL     1       3.046  -1.711   1.405  1.00  0.00           H  
HETATM   32  H9  UNL     1       2.716  -2.127  -0.304  1.00  0.00           H  
HETATM   33  H10 UNL     1       4.342   0.237   0.816  1.00  0.00           H  
HETATM   34  H11 UNL     1       4.131   1.126  -1.187  1.00  0.00           H  
HETATM   35  H12 UNL     1       3.421  -0.314  -1.868  1.00  0.00           H  
HETATM   36  H13 UNL     1       7.222  -1.673  -0.843  1.00  0.00           H  
HETATM   37  H14 UNL     1      -1.294   2.268   1.488  1.00  0.00           H  
HETATM   38  H15 UNL     1      -3.160   1.289   3.734  1.00  0.00           H  
HETATM   39  H16 UNL     1      -2.878   2.950   3.181  1.00  0.00           H  
HETATM   40  H17 UNL     1      -1.737   2.482   5.067  1.00  0.00           H  
HETATM   41  H18 UNL     1      -3.654   0.368   1.399  1.00  0.00           H  
HETATM   42  H19 UNL     1      -4.897   2.112   1.409  1.00  0.00           H  
HETATM   43  H20 UNL     1      -1.911   2.018  -0.478  1.00  0.00           H  
HETATM   44  H21 UNL     1      -4.349   0.584  -0.887  1.00  0.00           H  
CONECT    1    2   24   25   26
CONECT    2    3    3    4
CONECT    4    5   27
CONECT    5    6   22   28
CONECT    6    7   16   29
CONECT    7    8   30
CONECT    8    9    9   10
CONECT   10   11   31   32
CONECT   11   12   13   33
CONECT   12   34   35
CONECT   13   14   14   15
CONECT   15   36
CONECT   16   17
CONECT   17   18   20   37
CONECT   18   19   38   39
CONECT   19   40
CONECT   20   21   22   41
CONECT   21   42
CONECT   22   23   43
CONECT   23   44
END

HMDB0000489
     RDKit          3D
Aspartylglycosamine
 44 44  0  0  0  0  0  0  0  0999 V2000
   -0.9245   -2.0528   -3.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4518   -1.7239   -2.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1228   -2.6035   -1.5977 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2290   -0.4492   -1.5899 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7175   -0.0861   -0.3037 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6180    0.2078    0.7031 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4430   -0.7418    0.6852 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7656   -0.3220    0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9938    0.8886    0.1757 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9038   -1.2670    0.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1867   -0.5593    0.0490 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1664    0.0949   -1.2289 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3439   -1.4879    0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5527   -2.1721    1.1483 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2092   -1.6215   -0.9736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2198    0.3210    1.9658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9316    1.5044    1.9730 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3698    1.9541    3.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3336    2.1718    4.2032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1434    1.3050    1.0864 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9881    2.3860    1.2011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5975    1.1589   -0.3323 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5824    1.0984   -1.2794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4978   -2.9104   -3.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0749   -1.2258   -4.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1687   -2.2424   -3.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6707    0.2385   -2.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2925   -0.9655    0.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2501    1.2390    0.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2816   -1.7472    0.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0463   -1.7109    1.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7165   -2.1272   -0.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3424    0.2374    0.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1313    1.1259   -1.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4207   -0.3139   -1.8675 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2222   -1.6733   -0.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2935    2.2685    1.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1597    1.2892    3.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8785    2.9504    3.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7370    2.4819    5.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6539    0.3683    1.3993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8969    2.1122    1.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9111    2.0181   -0.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3485    0.5836   -0.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
  6 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  5  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  5 28  1  1
  6 29  1  6
  7 30  1  0
 10 31  1  0
 10 32  1  0
 11 33  1  1
 12 34  1  0
 12 35  1  0
 15 36  1  0
 17 37  1  6
 18 38  1  0
 18 39  1  0
 19 40  1  0
 20 41  1  1
 21 42  1  0
 22 43  1  6
 23 44  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
1-beta-Aspartyl-N-acetyl-D-glucosaminylamine	ChEBI
2-Acetamido-1-(beta-L-aspartamido)-1,2-dideoxy-beta-D-glucose	ChEBI
2-Acetamido-1-N-(4'-L-aspartyl)-2-deoxy-beta-D-glucopyranosylamine	ChEBI
2-Acetamido-N-L-beta-aspartyl-2-deoxy-beta-D-glucopyranosylamine	ChEBI
2-Acetamido-N(1)-L-beta-aspartyl-2-deoxy-beta-D-glucopyranosylamine	ChEBI
AADG	ChEBI
beta-N-Acetylglucosaminyl-L-asparagine	ChEBI
N-Acetylglucosaminylasparagine	ChEBI
N4-(Acetyl-beta-D-glucosaminyl)asparagine	ChEBI
N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine	ChEBI
1-b-Aspartyl-N-acetyl-D-glucosaminylamine	Generator
1-Β-aspartyl-N-acetyl-D-glucosaminylamine	Generator
2-Acetamido-1-(b-L-aspartamido)-1,2-dideoxy-b-D-glucose	Generator
2-Acetamido-1-(β-L-aspartamido)-1,2-dideoxy-β-D-glucose	Generator
2-Acetamido-1-N-(4'-L-aspartyl)-2-deoxy-b-D-glucopyranosylamine	Generator
2-Acetamido-1-N-(4'-L-aspartyl)-2-deoxy-β-D-glucopyranosylamine	Generator
2-Acetamido-N-L-b-aspartyl-2-deoxy-b-D-glucopyranosylamine	Generator
2-Acetamido-N-L-β-aspartyl-2-deoxy-β-D-glucopyranosylamine	Generator
2-Acetamido-N(1)-L-b-aspartyl-2-deoxy-b-D-glucopyranosylamine	Generator
2-Acetamido-N(1)-L-β-aspartyl-2-deoxy-β-D-glucopyranosylamine	Generator
b-N-Acetylglucosaminyl-L-asparagine	Generator
Β-N-acetylglucosaminyl-L-asparagine	Generator
N4-(Acetyl-b-D-glucosaminyl)asparagine	Generator
N4-(Acetyl-β-D-glucosaminyl)asparagine	Generator
N4-(b-N-Acetyl-D-glucosaminyl)-L-asparagine	Generator
N4-(Β-N-acetyl-D-glucosaminyl)-L-asparagine	Generator
(N-g-(2-Acetamido-2-deoxy-b-D-gluco-pyranosyl)-L-asparagine	HMDB
(N-gamma-(2-Acetamido-2-deoxy-beta-D-gluco-pyranosyl)-L-asparagine	HMDB
(N-gamma-(2-Acetamido-2-deoxy-beta-delta-gluco-pyranosyl)-L-asparagine	HMDB
2-Acetamido-1-b-(L-aspartamido)-1,2-dideoxy-D-glucose	HMDB
2-Acetamido-1-beta-(L-aspartamido)-1,2-dideoxy-D-glucose	HMDB
2-Acetamido-1-beta-(L-aspartamido)-1,2-dideoxy-delta-glucose	HMDB
2-Acetamido-1-N-(4'-L-aspartyl)-2-deoxy-beta-delta-glucopyranosylamine	HMDB
4-N-2-Acetamido-2-deoxy-beta-D-glucopyranosyl-L-asparagine	HMDB
4-N-2-Acetamido-2-deoxy-beta-delta-glucopyranosyl-L-asparagine	HMDB
Acetylglucosaminylasparagine	HMDB
Asparaginylglucosamine	HMDB
Aspartylglucosamine	HMDB
Aspartylglucosylamine	HMDB
b-D-GlcNAc-1->n-asn	HMDB
beta-D-GlcNAc-1->n-asn	HMDB
beta-delta-GlcNAc-1->n-asn	HMDB
H-Asn(glcnac-b-D)-OH	HMDB
H-Asn(glcnac-beta-D)-OH	HMDB
N(4)-(Acetyl-beta-D-glucosaminyl)asparagine	HMDB
N(4)-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine	HMDB
N-(2-(Acetylamino)-2-deoxy-beta-D-glucopyranosyl)L-asparagine	HMDB
N-(2-(Acetylamino)-2-deoxy-beta-delta-glucopyranosyl)L-asparagine	HMDB
N-(2-Acetylamino)-2-deoxy-beta-D-glucopyranosyl-L-asparagine	HMDB
N-(2-Acetylamino)-2-deoxy-beta-delta-glucopyranosyl-L-asparagine	HMDB
N(4)-(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)-L-asparagine	HMDB
N(4)-(2-Acetamido-2-deoxyglucopyranosyl)asparagine	HMDB
N-ADGP-asn	HMDB
N(4)-(b-N-Acetyl-D-glucosaminyl)-L-asparagine	HMDB
N(4)-(Β-N-acetyl-D-glucosaminyl)-L-asparagine	HMDB
Aspartylglycosamine	MeSH

Chemical Formula

C₁₂H₂₁N₃O₈

Average Molecular Weight

335.3104

Monoisotopic Molecular Weight

335.132864663

IUPAC Name

(2S)-2-amino-3-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl}propanoic acid

Traditional Name

acetylglucosaminylasparagine

CAS Registry Number

2776-93-4

SMILES

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

InChI Identifier

InChI=1S/C12H21N3O8/c1-4(17)14-8-10(20)9(19)6(3-16)23-11(8)15-7(18)2-5(13)12(21)22/h5-6,8-11,16,19-20H,2-3,13H2,1H3,(H,14,17)(H,15,18)(H,21,22)/t5-,6+,8+,9+,10+,11+/m0/s1

InChI Key

YTTRPBWEMMPYSW-HRRFRDKFSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Glycosylamines

Alternative Parents

Substituents

Hexose monosaccharide
N-glycosyl compound
Alpha-amino acid
Alpha-amino acid or derivatives
L-alpha-amino acid
Heterocyclic fatty acid
Hydroxy fatty acid
Fatty acyl
Fatty acid
Monosaccharide
Oxane
Amino acid or derivatives
Amino acid
Secondary alcohol
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Monocarboxylic acid or derivatives
Propargyl-type 1,3-dipolar organic compound
Hydrocarbon derivative
Organopnictogen compound
Organic nitrogen compound
Amine
Organic oxide
Carbonyl group
Primary aliphatic amine
Alcohol
Organonitrogen compound
Primary amine
Primary alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

N(4)-glycosyl-L-asparagine (CHEBI:17261 )
glucosaminylamine (CHEBI:17261 )

Ontology

Physiological effect

Health effect

Aspartylglucosaminuria (HMDB: HMDB0000489)

Disposition

Biological location

Biofluid or Excreta

Urine (HMDB: HMDB0000489)

Organ

Spleen (HMDB: HMDB0000489)
Placenta (HMDB: HMDB0000489)

Excreta

Biofluid or Excreta

Urine (PMID: 6787338)
Feces (PMID: 27543620)

Cellular substructure

Cytoplasm (HMDB: HMDB0000489)

Source

Endogenous

Endogenous (HMDB: HMDB0000489)

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

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

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

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

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

Process

Not Available

Role

Industrial application

Pharmaceutical industry

Biomarker

Aspartylglucosaminuria (MarkerDB: MDB00000173)

Physical Properties

State

Solid

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	39.1 g/L	ALOGPS
logP	-3.1	ALOGPS
logP	-6.8	ChemAxon
logS	-0.93	ALOGPS
pKa (Strongest Acidic)	1.58	ChemAxon
pKa (Strongest Basic)	8.43	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	191.44 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	72.02 m³·mol⁻¹	ChemAxon
Polarizability	31.8 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]+	175.839	31661259
DarkChem	[M-H]-	170.536	31661259
AllCCS	[M+H]+	173.834	32859911
AllCCS	[M-H]-	174.445	32859911
DeepCCS	[M+H]+	177.985	30932474
DeepCCS	[M-H]-	175.589	30932474
DeepCCS	[M-2H]-	208.766	30932474
DeepCCS	[M+Na]+	183.897	30932474
AllCCS	[M+H]+	173.8	32859911
AllCCS	[M+H-H2O]+	171.0	32859911
AllCCS	[M+NH4]+	176.4	32859911
AllCCS	[M+Na]+	177.2	32859911
AllCCS	[M-H]-	174.4	32859911
AllCCS	[M+Na-2H]-	174.3	32859911
AllCCS	[M+HCOO]-	174.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Aspartylglycosamine	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=O)C[C@H](N)C(O)=O	4404.5	Standard polar	33892256
Aspartylglycosamine	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=O)C[C@H](N)C(O)=O	2816.2	Standard non polar	33892256
Aspartylglycosamine	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=O)C[C@H](N)C(O)=O	3228.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Aspartylglycosamine,1TMS,isomer #1	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2864.7	Semi standard non polar	33892256
Aspartylglycosamine,1TMS,isomer #2	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2860.8	Semi standard non polar	33892256
Aspartylglycosamine,1TMS,isomer #3	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	2834.2	Semi standard non polar	33892256
Aspartylglycosamine,1TMS,isomer #4	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2836.7	Semi standard non polar	33892256
Aspartylglycosamine,1TMS,isomer #5	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O	2909.6	Semi standard non polar	33892256
Aspartylglycosamine,1TMS,isomer #6	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2806.0	Semi standard non polar	33892256
Aspartylglycosamine,1TMS,isomer #7	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C	2809.1	Semi standard non polar	33892256
Aspartylglycosamine,2TMS,isomer #1	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2809.8	Semi standard non polar	33892256
Aspartylglycosamine,2TMS,isomer #10	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2792.5	Semi standard non polar	33892256
Aspartylglycosamine,2TMS,isomer #11	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C	2772.9	Semi standard non polar	33892256
Aspartylglycosamine,2TMS,isomer #12	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	2780.2	Semi standard non polar	33892256
Aspartylglycosamine,2TMS,isomer #13	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	2872.0	Semi standard non polar	33892256
Aspartylglycosamine,2TMS,isomer #14	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2776.4	Semi standard non polar	33892256
Aspartylglycosamine,2TMS,isomer #15	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C	2758.5	Semi standard non polar	33892256
Aspartylglycosamine,2TMS,isomer #16	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2859.6	Semi standard non polar	33892256
Aspartylglycosamine,2TMS,isomer #17	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2764.7	Semi standard non polar	33892256
Aspartylglycosamine,2TMS,isomer #18	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2726.0	Semi standard non polar	33892256
Aspartylglycosamine,2TMS,isomer #19	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2844.3	Semi standard non polar	33892256
Aspartylglycosamine,2TMS,isomer #2	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2800.8	Semi standard non polar	33892256
Aspartylglycosamine,2TMS,isomer #20	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2848.2	Semi standard non polar	33892256
Aspartylglycosamine,2TMS,isomer #21	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3009.1	Semi standard non polar	33892256
Aspartylglycosamine,2TMS,isomer #22	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2698.7	Semi standard non polar	33892256
Aspartylglycosamine,2TMS,isomer #3	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2805.5	Semi standard non polar	33892256
Aspartylglycosamine,2TMS,isomer #4	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2900.5	Semi standard non polar	33892256
Aspartylglycosamine,2TMS,isomer #5	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2801.7	Semi standard non polar	33892256
Aspartylglycosamine,2TMS,isomer #6	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C	2772.5	Semi standard non polar	33892256
Aspartylglycosamine,2TMS,isomer #7	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2811.4	Semi standard non polar	33892256
Aspartylglycosamine,2TMS,isomer #8	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2814.3	Semi standard non polar	33892256
Aspartylglycosamine,2TMS,isomer #9	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2900.8	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #1	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2792.0	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #10	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2899.8	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #11	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2788.7	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #12	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C	2758.5	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #13	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2868.3	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #14	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2847.4	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #15	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2968.5	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #16	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2754.7	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #17	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2806.4	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #18	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2893.9	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #19	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2794.0	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #2	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2789.8	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #20	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2758.4	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #21	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2893.6	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #22	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2778.2	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #23	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C	2770.1	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #24	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2855.7	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #25	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2849.3	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #26	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2986.6	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #27	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2734.7	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #28	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	2834.1	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #29	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2762.6	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #3	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2886.5	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #30	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2714.9	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #31	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2818.1	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #32	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2802.4	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #33	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	2958.7	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #34	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2706.3	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #35	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2817.4	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #36	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2788.0	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #37	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2974.4	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #38	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2698.9	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #39	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2750.8	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #4	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2807.8	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #40	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2907.6	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #41	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2910.6	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #5	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2764.8	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #6	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2782.4	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #7	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2894.0	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #8	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2787.4	Semi standard non polar	33892256
Aspartylglycosamine,3TMS,isomer #9	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C	2759.3	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #1	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	2801.7	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #10	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3005.2	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #11	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2780.7	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #12	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2889.3	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #13	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	2784.3	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #14	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C	2761.4	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #15	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2868.8	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #16	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2840.2	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #17	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2966.6	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #18	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2754.8	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #19	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2872.7	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #2	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2880.5	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #20	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2855.7	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #21	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2974.1	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #22	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2773.5	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #23	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2834.4	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #24	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2947.3	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #25	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2928.1	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #26	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2893.4	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #27	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	2798.5	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #28	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2767.3	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #29	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2861.3	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #3	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	2806.9	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #30	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2847.2	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #31	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	3015.0	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #32	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2765.6	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #33	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2867.6	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #34	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2860.5	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #35	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2991.7	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #36	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2749.5	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #37	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2816.1	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #38	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2946.3	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #39	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2934.9	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #4	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2759.1	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #40	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2826.5	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #41	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2779.1	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #42	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	2961.4	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #43	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2719.9	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #44	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2779.7	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #45	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2923.7	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #46	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2905.1	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #47	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2763.3	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #48	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2937.5	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #49	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2919.8	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #5	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2882.9	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #50	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2876.1	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #6	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	2803.7	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #7	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2770.2	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #8	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2875.4	Semi standard non polar	33892256
Aspartylglycosamine,4TMS,isomer #9	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2846.6	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #1	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)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	2861.1	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #1	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)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	2941.6	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #1	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)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	3708.0	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #10	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2988.8	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #10	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2987.2	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #10	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3668.2	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #11	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2785.2	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #11	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2868.6	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #11	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3995.3	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #12	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2837.4	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #12	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2913.4	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #12	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3575.4	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #13	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2993.5	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #13	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2992.6	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #13	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	3655.5	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #14	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2967.1	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #14	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2994.0	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #14	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3700.0	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #15	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)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	2884.5	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #15	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)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	2909.9	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #15	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)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	3674.2	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #16	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2857.9	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #16	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2913.5	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #16	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3734.7	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #17	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[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	2959.7	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #17	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[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	2990.0	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #17	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[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	3814.9	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #18	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2798.7	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #18	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2868.9	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #18	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4195.3	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #19	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2851.4	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #19	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2929.3	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #19	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3698.0	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #2	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	2788.6	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #2	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	2869.8	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #2	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	4109.7	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #20	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[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	2982.1	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #20	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[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	3011.0	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #20	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[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	3742.9	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #21	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2945.8	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #21	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3022.9	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #21	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3795.7	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #22	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2860.5	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #22	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2913.8	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #22	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3628.2	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #23	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[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	2981.9	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #23	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[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	2988.3	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #23	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[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	3677.9	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #24	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2954.5	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #24	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2996.7	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #24	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3725.2	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #25	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2927.5	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #25	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3023.1	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #25	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3736.7	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #26	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)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	2862.3	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #26	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)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	2937.1	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #26	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)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	3572.5	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #27	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2838.4	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #27	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2930.6	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #27	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3687.3	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #28	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3000.9	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #28	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2994.9	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #28	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3786.9	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #29	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2775.6	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #29	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2888.1	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #29	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4008.7	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #3	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2749.3	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #3	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2864.0	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #3	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4151.4	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #30	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2827.1	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #30	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2922.1	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #30	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3551.4	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #31	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2988.4	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #31	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2994.0	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #31	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	3623.3	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #32	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2972.9	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #32	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2990.6	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #32	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3721.8	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #33	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2848.5	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #33	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2934.2	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #33	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3669.4	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #34	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[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	2986.6	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #34	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[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	3010.8	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #34	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[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	3725.4	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #35	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2962.5	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #35	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3009.7	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #35	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3833.1	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #36	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2922.0	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #36	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3033.5	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #36	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3713.4	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #37	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2803.0	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #37	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2941.7	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #37	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3685.7	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #38	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2968.3	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #38	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	3017.6	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #38	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	3757.9	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #39	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2939.3	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #39	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3025.8	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #39	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3845.2	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #4	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)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	2866.5	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #4	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)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	2934.0	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #4	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)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	3588.8	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #40	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2906.9	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #40	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3052.7	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #40	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3836.4	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #41	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2920.5	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #41	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3020.6	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #41	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3764.2	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #5	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2828.3	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #5	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2939.4	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #5	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3640.6	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #6	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2986.7	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #6	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3013.1	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #6	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3736.6	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2779.2	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2880.4	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4028.8	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #8	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)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	2863.2	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #8	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)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	2914.3	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #8	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)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	3523.1	Standard polar	33892256
Aspartylglycosamine,5TMS,isomer #9	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2839.7	Semi standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #9	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2912.9	Standard non polar	33892256
Aspartylglycosamine,5TMS,isomer #9	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3568.9	Standard polar	33892256
Aspartylglycosamine,6TMS,isomer #1	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)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	2870.4	Semi standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #1	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)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	2956.9	Standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #1	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C)C(=O)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	3354.8	Standard polar	33892256
Aspartylglycosamine,6TMS,isomer #10	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2985.2	Semi standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #10	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3020.7	Standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #10	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3403.7	Standard polar	33892256
Aspartylglycosamine,6TMS,isomer #11	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2984.2	Semi standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #11	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3028.4	Standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #11	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3433.0	Standard polar	33892256
Aspartylglycosamine,6TMS,isomer #12	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2903.3	Semi standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #12	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2943.4	Standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #12	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3402.6	Standard polar	33892256
Aspartylglycosamine,6TMS,isomer #13	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[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	3016.3	Semi standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #13	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[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	3019.2	Standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #13	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[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	3468.8	Standard polar	33892256
Aspartylglycosamine,6TMS,isomer #14	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2979.0	Semi standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #14	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3028.9	Standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #14	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3515.1	Standard polar	33892256
Aspartylglycosamine,6TMS,isomer #15	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2962.0	Semi standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #15	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3049.9	Standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #15	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3513.2	Standard polar	33892256
Aspartylglycosamine,6TMS,isomer #16	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2974.2	Semi standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #16	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3038.9	Standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #16	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3448.3	Standard polar	33892256
Aspartylglycosamine,6TMS,isomer #17	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2859.1	Semi standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #17	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2963.1	Standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #17	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3333.6	Standard polar	33892256
Aspartylglycosamine,6TMS,isomer #18	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[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	3008.5	Semi standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #18	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[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	3032.6	Standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #18	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[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	3415.1	Standard polar	33892256
Aspartylglycosamine,6TMS,isomer #19	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2987.6	Semi standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #19	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3032.4	Standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #19	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3505.7	Standard polar	33892256
Aspartylglycosamine,6TMS,isomer #2	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2834.5	Semi standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #2	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2961.6	Standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #2	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3402.7	Standard polar	33892256
Aspartylglycosamine,6TMS,isomer #20	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2973.4	Semi standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #20	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3037.9	Standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #20	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3413.1	Standard polar	33892256
Aspartylglycosamine,6TMS,isomer #21	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2959.8	Semi standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #21	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3057.1	Standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #21	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3487.4	Standard polar	33892256
Aspartylglycosamine,6TMS,isomer #22	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2958.8	Semi standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #22	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3055.7	Standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #22	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3533.8	Standard polar	33892256
Aspartylglycosamine,6TMS,isomer #3	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[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	2978.9	Semi standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #3	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[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	3033.1	Standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #3	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[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	3528.7	Standard polar	33892256
Aspartylglycosamine,6TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2822.7	Semi standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2901.6	Standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3870.7	Standard polar	33892256
Aspartylglycosamine,6TMS,isomer #5	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2862.7	Semi standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #5	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2955.0	Standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #5	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3361.0	Standard polar	33892256
Aspartylglycosamine,6TMS,isomer #6	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[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	3015.6	Semi standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #6	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[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	3031.4	Standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #6	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[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	3428.7	Standard polar	33892256
Aspartylglycosamine,6TMS,isomer #7	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2977.7	Semi standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #7	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3044.6	Standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #7	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3469.3	Standard polar	33892256
Aspartylglycosamine,6TMS,isomer #8	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2872.6	Semi standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #8	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2946.9	Standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #8	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3295.6	Standard polar	33892256
Aspartylglycosamine,6TMS,isomer #9	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[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	3025.6	Semi standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #9	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[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	3016.8	Standard non polar	33892256
Aspartylglycosamine,6TMS,isomer #9	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[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	3367.1	Standard polar	33892256
Aspartylglycosamine,7TMS,isomer #1	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2909.6	Semi standard non polar	33892256
Aspartylglycosamine,7TMS,isomer #1	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2996.4	Standard non polar	33892256
Aspartylglycosamine,7TMS,isomer #1	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3183.8	Standard polar	33892256
Aspartylglycosamine,7TMS,isomer #2	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[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	3038.6	Semi standard non polar	33892256
Aspartylglycosamine,7TMS,isomer #2	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[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	3060.9	Standard non polar	33892256
Aspartylglycosamine,7TMS,isomer #2	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[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	3272.9	Standard polar	33892256
Aspartylglycosamine,7TMS,isomer #3	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3007.5	Semi standard non polar	33892256
Aspartylglycosamine,7TMS,isomer #3	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3069.5	Standard non polar	33892256
Aspartylglycosamine,7TMS,isomer #3	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3315.1	Standard polar	33892256
Aspartylglycosamine,7TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3029.9	Semi standard non polar	33892256
Aspartylglycosamine,7TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3068.4	Standard non polar	33892256
Aspartylglycosamine,7TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3279.8	Standard polar	33892256
Aspartylglycosamine,7TMS,isomer #5	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3031.8	Semi standard non polar	33892256
Aspartylglycosamine,7TMS,isomer #5	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3063.2	Standard non polar	33892256
Aspartylglycosamine,7TMS,isomer #5	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3222.4	Standard polar	33892256
Aspartylglycosamine,7TMS,isomer #6	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3028.4	Semi standard non polar	33892256
Aspartylglycosamine,7TMS,isomer #6	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3070.8	Standard non polar	33892256
Aspartylglycosamine,7TMS,isomer #6	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3289.5	Standard polar	33892256
Aspartylglycosamine,7TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3020.9	Semi standard non polar	33892256
Aspartylglycosamine,7TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3077.1	Standard non polar	33892256
Aspartylglycosamine,7TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3253.9	Standard polar	33892256
Aspartylglycosamine,1TBDMS,isomer #1	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3107.3	Semi standard non polar	33892256
Aspartylglycosamine,1TBDMS,isomer #2	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3098.2	Semi standard non polar	33892256
Aspartylglycosamine,1TBDMS,isomer #3	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3104.2	Semi standard non polar	33892256
Aspartylglycosamine,1TBDMS,isomer #4	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3121.7	Semi standard non polar	33892256
Aspartylglycosamine,1TBDMS,isomer #5	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O	3166.7	Semi standard non polar	33892256
Aspartylglycosamine,1TBDMS,isomer #6	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3039.2	Semi standard non polar	33892256
Aspartylglycosamine,1TBDMS,isomer #7	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3062.1	Semi standard non polar	33892256
Aspartylglycosamine,2TBDMS,isomer #1	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3288.3	Semi standard non polar	33892256
Aspartylglycosamine,2TBDMS,isomer #10	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3253.9	Semi standard non polar	33892256
Aspartylglycosamine,2TBDMS,isomer #11	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3277.0	Semi standard non polar	33892256
Aspartylglycosamine,2TBDMS,isomer #12	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3304.5	Semi standard non polar	33892256
Aspartylglycosamine,2TBDMS,isomer #13	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3349.0	Semi standard non polar	33892256
Aspartylglycosamine,2TBDMS,isomer #14	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3250.8	Semi standard non polar	33892256
Aspartylglycosamine,2TBDMS,isomer #15	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3263.2	Semi standard non polar	33892256
Aspartylglycosamine,2TBDMS,isomer #16	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3372.5	Semi standard non polar	33892256
Aspartylglycosamine,2TBDMS,isomer #17	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3261.4	Semi standard non polar	33892256
Aspartylglycosamine,2TBDMS,isomer #18	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3270.3	Semi standard non polar	33892256
Aspartylglycosamine,2TBDMS,isomer #19	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3301.3	Semi standard non polar	33892256
Aspartylglycosamine,2TBDMS,isomer #2	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3270.2	Semi standard non polar	33892256
Aspartylglycosamine,2TBDMS,isomer #20	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3338.2	Semi standard non polar	33892256
Aspartylglycosamine,2TBDMS,isomer #21	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3457.6	Semi standard non polar	33892256
Aspartylglycosamine,2TBDMS,isomer #22	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3193.0	Semi standard non polar	33892256
Aspartylglycosamine,2TBDMS,isomer #3	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3273.4	Semi standard non polar	33892256
Aspartylglycosamine,2TBDMS,isomer #4	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3367.0	Semi standard non polar	33892256
Aspartylglycosamine,2TBDMS,isomer #5	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3252.2	Semi standard non polar	33892256
Aspartylglycosamine,2TBDMS,isomer #6	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3275.0	Semi standard non polar	33892256
Aspartylglycosamine,2TBDMS,isomer #7	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3285.8	Semi standard non polar	33892256
Aspartylglycosamine,2TBDMS,isomer #8	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3282.0	Semi standard non polar	33892256
Aspartylglycosamine,2TBDMS,isomer #9	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3363.9	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #1	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3479.4	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #10	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)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	3534.2	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #11	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3448.3	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #12	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3457.9	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #13	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)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	3521.6	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #14	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3541.8	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #15	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3661.7	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #16	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3420.5	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #17	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3489.7	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #18	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)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	3560.8	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #19	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3457.2	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #2	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3450.9	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #20	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3476.6	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #21	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)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	3551.2	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #22	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3456.0	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #23	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3472.3	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #24	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)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	3520.8	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #25	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3549.3	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #26	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3666.4	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #27	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3415.1	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #28	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)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	3566.4	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #29	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3468.5	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #3	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)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	3557.5	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #30	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3473.2	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #31	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)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	3508.5	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #32	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3531.2	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #33	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3652.0	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #34	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3404.2	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #35	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)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	3509.6	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #36	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3538.3	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #37	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3697.1	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #38	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3379.5	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #39	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3442.3	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #4	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3448.8	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #40	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3609.7	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #41	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3637.8	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #5	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3465.1	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #6	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3464.8	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #7	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)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	3537.3	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #8	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3453.1	Semi standard non polar	33892256
Aspartylglycosamine,3TBDMS,isomer #9	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3462.6	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #1	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3654.5	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #10	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3885.9	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #11	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3606.8	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #12	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)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	3715.2	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #13	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3637.4	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #14	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3638.8	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #15	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)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	3696.8	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #16	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3714.6	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #17	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[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	3860.5	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #18	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3624.1	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #19	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)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	3694.8	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #2	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)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	3733.5	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #20	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3708.5	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #21	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[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	3855.9	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #22	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3631.2	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #23	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3672.9	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #24	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[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	3802.4	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #25	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3811.8	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #26	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)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	3739.8	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #27	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3643.2	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #28	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3659.1	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #29	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)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	3692.8	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #3	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3643.7	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #30	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3720.1	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #31	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3898.3	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #32	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3610.0	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #33	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)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	3694.1	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #34	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3724.4	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #35	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[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	3869.8	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #36	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3622.0	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #37	CC(=O)N([C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3668.4	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #38	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[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	3809.6	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #39	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3829.6	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #4	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3651.5	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #40	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)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	3690.9	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #41	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3704.0	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #42	CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3886.2	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #43	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3593.3	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #44	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3646.0	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #45	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[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	3797.5	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #46	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3810.4	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #47	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3629.4	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #48	CC(=O)N([C@H]1[C@H](NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3807.8	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #49	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3824.9	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #5	CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)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	3692.1	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #50	CC(=O)N([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3759.3	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #6	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N)C(=O)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	3631.4	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #7	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3631.7	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #8	CC(=O)N([C@H]1[C@H](NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)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	3687.8	Semi standard non polar	33892256
Aspartylglycosamine,4TBDMS,isomer #9	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[C@H]1N(C(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3708.9	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 - Aspartylglycosamine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0g4i-9353000000-786f34e9af0ed644bf2d	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (4 TMS) - 70eV, Positive	splash10-0ab9-7921338000-f4887b8c9c177fb6c177	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aspartylglycosamine GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	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 - Aspartylglycosamine 10V, Positive-QTOF	splash10-014l-0293000000-0e6afb70f83fecf33f5e	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aspartylglycosamine 20V, Positive-QTOF	splash10-014r-7690000000-d891eff61408c60fc0f3	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aspartylglycosamine 40V, Positive-QTOF	splash10-00mx-5930000000-b5b03176088e9e4c1abc	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aspartylglycosamine 10V, Negative-QTOF	splash10-001i-3589000000-878cfc8351ca28034926	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aspartylglycosamine 20V, Negative-QTOF	splash10-0229-4970000000-144a7c9cf2b6b1c0d0c5	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aspartylglycosamine 40V, Negative-QTOF	splash10-0pb9-9500000000-d184dbc6f7857ff2cf4c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aspartylglycosamine 10V, Negative-QTOF	splash10-00lr-0149000000-eefcb4b7d49cc9736455	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aspartylglycosamine 20V, Negative-QTOF	splash10-001i-2692000000-35c3172ea336db4c9e96	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aspartylglycosamine 40V, Negative-QTOF	splash10-052f-9320000000-1c2091e6c22b83332897	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aspartylglycosamine 10V, Positive-QTOF	splash10-000i-0019000000-7900e8ac31b6a1fd733a	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aspartylglycosamine 20V, Positive-QTOF	splash10-01bi-4439000000-75f483b5d93e062a4614	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aspartylglycosamine 40V, Positive-QTOF	splash10-001i-3910000000-7e17eb196465686b849e	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Feces
Urine

Tissue Locations

Placenta
Spleen

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	27543620	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	29808030	details
Urine	Detected and Quantified	0 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	6787338	details
Urine	Detected and Quantified	0 umol/mmol creatinine	Children (1 - 13 years old)	Both	Normal	6787338	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details
Urine	Detected and Quantified	87.680 (39.963-166.0153) umol/mmol creatinine	Adult (>18 years old)	Both	Aspartylglucosaminuria	6787338	details
Urine	Detected and Quantified	70.383 (30.420-97.621) umol/mmol creatinine	Children (1-13 years old)	Both	Aspartylglucosaminuria	6787338	details
Urine	Detected and Quantified	0.6 (0.20-1.00) umol/mmol creatinine	Adult (>18 years old)	Both	Aspartylglucosaminuria	MetaGene: Metabol...	details
Urine	Detected and Quantified	175.0 (100.0-250.0) umol/mmol creatinine	Children (1-13 years old)	Both	Aspartylglucosaminuria	MetaGene: Metabol...	details

Associated Disorders and Diseases

Disease References

Aspartylglucosaminuria
Aula P, Raivio KO, Maury P: Variation of urinary excretion of aspartylglucosamine and associated clinical findings in aspartyglucosaminuria. J Inherit Metab Dis. 1980;3(4):159-62. [PubMed:6787338 ] G.Frauendienst-Egger, Friedrich K. Trefz (2017). MetaGene: Metabolic & Genetic Information Center (MIC: http://www.metagene.de). METAGENE consortium.

Associated OMIM IDs

208400 (Aspartylglucosaminuria)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022071

KNApSAcK ID

Not Available

Chemspider ID

110370

KEGG Compound ID

C04540

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

5476

PubChem Compound

123826

PDB ID

Not Available

ChEBI ID

17261

Food Biomarker Ontology

Not Available

VMH ID

M02513

MarkerDB ID

MDB00000173

Good Scents ID

Not Available

References

Synthesis Reference

Yamamoto, Akira; Miyashita, Chieko; Tsukamoto, Hisao. Amino sugars. II. Preparation of 2-acetamido-1-N-[L-a(and b)-aspartyl]-2-deoxy-b-D-glucosylamine and 2-acetamido-2-deoxy-N-(L-g-glutamyl)-b-D-glucosylamine. Chemical & Pharmaceutical Bulletin (1965), 13(9), 1041-6.

Material Safety Data Sheet (MSDS)

Not Available

General References

Hoffmann GF, Seppel CK, Holmes B, Mitchell L, Christen HJ, Hanefeld F, Rating D, Nyhan WL: Quantitative organic acid analysis in cerebrospinal fluid and plasma: reference values in a pediatric population. J Chromatogr. 1993 Jul 23;617(1):1-10. [PubMed:8376520 ]
Jalanko A, Tenhunen K, McKinney CE, LaMarca ME, Rapola J, Autti T, Joensuu R, Manninen T, Sipila I, Ikonen S, Riekkinen P Jr, Ginns EI, Peltonen L: Mice with an aspartylglucosaminuria mutation similar to humans replicate the pathophysiology in patients. Hum Mol Genet. 1998 Feb;7(2):265-72. [PubMed:9425233 ]
Dunder U, Kaartinen V, Valtonen P, Vaananen E, Kosma VM, Heisterkamp N, Groffen J, Mononen I: Enzyme replacement therapy in a mouse model of aspartylglycosaminuria. FASEB J. 2000 Feb;14(2):361-7. [PubMed:10657992 ]
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Showing metabocard for Aspartylglycosamine (HMDB0000489)

MOL for HMDB0000489 (Aspartylglycosamine)

3D MOL for HMDB0000489 (Aspartylglycosamine)

3D SDF for HMDB0000489 (Aspartylglycosamine)

3D-SDF for HMDB0000489 (Aspartylglycosamine)

PDB for HMDB0000489 (Aspartylglycosamine)

3D PDB for HMDB0000489 (Aspartylglycosamine)

SMILES for HMDB0000489 (Aspartylglycosamine)

INCHI for HMDB0000489 (Aspartylglycosamine)

Structure for HMDB0000489 (Aspartylglycosamine)

3D Structure for HMDB0000489 (Aspartylglycosamine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra