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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2007-05-30 12:41:45 UTC

Update Date

2021-09-14 15:46:12 UTC

HMDB ID

HMDB0006698

Secondary Accession Numbers

HMDB06698

Metabolite Identification

Common Name

Tri-N-acetylchitotriose

Description

Tri-N-acetylchitotriose belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group. Tri-N-acetylchitotriose has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make tri-N-acetylchitotriose a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Tri-N-acetylchitotriose.

Structure

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


  Mrv0541 02231220482D          

 43 44  0  0  1  0            999 V2000
   15.5905   -6.3622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7339   -5.9497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3049   -7.5996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4483   -4.7121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5905   -4.7121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1616   -8.8371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5905   -9.6621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7339   -7.5996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7339   -8.4246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8773   -3.8871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7096   -6.4447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4483   -3.8871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8773   -7.1871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7325   -7.1871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7845   -5.7739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3148   -5.1419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0194   -3.8871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1616   -7.1871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.2201   -4.2234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3049   -5.9497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3049   -5.1246    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.0194   -4.7121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.0194   -6.3622    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.7339   -5.1246    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5905   -7.1871    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.8759   -7.5996    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8759   -8.4246    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.5905   -8.8371    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3049   -8.4246    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.0194   -7.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1628   -5.1246    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.0194   -8.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8773   -4.7121    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.1628   -5.9497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.7339   -3.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6898   -4.8553    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4469   -7.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8773   -6.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7339   -2.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4469   -8.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9720   -5.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0326   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5629   -3.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20  1  1  1  0  0  0
 25  1  1  6  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 29  1  0  0  0  0
 24  4  1  6  0  0  0
 31  4  1  1  0  0  0
 21  5  1  6  0  0  0
 27  6  1  6  0  0  0
 28  7  1  1  0  0  0
  8 30  1  0  0  0  0
  9 32  1  0  0  0  0
 33 10  1  6  0  0  0
 34 11  1  1  0  0  0
 12 35  2  0  0  0  0
 13 38  1  0  0  0  0
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 15 41  2  0  0  0  0
 16 42  2  0  0  0  0
 22 17  1  1  0  0  0
 17 35  1  0  0  0  0
 26 18  1  1  0  0  0
 18 37  1  0  0  0  0
 36 19  1  1  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  1  0  0  0  0
 23 30  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 32  1  6  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 33 36  1  0  0  0  0
 34 38  1  0  0  0  0
 35 39  1  0  0  0  0
 36 41  1  0  0  0  0
 37 40  1  0  0  0  0
 42 43  1  0  0  0  0
M  END

HMDB0006698
     RDKit          3D
Tri-N-acetylchitotriose
 84 85  0  0  0  0  0  0  0  0999 V2000
   -5.3584    4.2438    0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585    3.1011   -0.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2673    3.0276   -1.6551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4018    2.0564   -0.7479 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4059    0.9286   -1.6537 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2611    1.0050   -2.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4879    1.9367   -2.4981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6381   -0.3740   -0.9766 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6109   -1.4100   -1.9240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7430   -0.6856    0.1874 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4190   -0.8760   -0.1139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5194   -0.1216    0.5974 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0925    0.0756   -2.5514 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3594    0.8463   -1.0509 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5511    1.2618   -2.1416 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5894    2.5896   -2.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3520    3.4114   -2.0493 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6916   -0.2392    1.6275 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5206   -0.8114    2.5594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6389   -0.9427    1.5081 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1900   -1.0537    2.8272 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3834   -2.2976    3.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9571   -2.3783    4.8379 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0025   -2.9641   -0.3102 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6809    5.1728   -0.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5154   -0.8590   -0.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9773   -1.5581    0.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2061   -1.2964    1.9675 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8726   -0.9377    3.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9624    0.5752    2.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9461   -1.2378   -0.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3804    4.0624   -3.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3389    3.0153   -4.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0115   -3.1331   -0.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3947   -1.8930    0.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7597   -3.0198    1.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1835   -0.2851    1.9822 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  2  0
  5  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
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 14 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
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 22 23  1  0
 21 24  1  0
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 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 17 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
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 42 43  1  0
 35 12  1  0
 28 19  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  4 47  1  0
  5 48  1  6
  6 49  1  0
  8 50  1  1
  9 51  1  0
 10 52  1  1
 12 53  1  1
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 15 56  1  0
 16 57  1  0
 17 58  1  6
 19 59  1  6
 21 60  1  6
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 23 63  1  0
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 31 70  1  0
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 31 72  1  0
 33 73  1  1
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 35 75  1  6
 36 76  1  0
 38 77  1  0
 38 78  1  0
 38 79  1  0
 40 80  1  1
 41 81  1  0
 42 82  1  0
 42 83  1  0
 43 84  1  0
M  END


  Mrv0541 02231220482D          

 43 44  0  0  1  0            999 V2000
   15.5905   -6.3622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7339   -5.9497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3049   -7.5996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4483   -4.7121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5905   -4.7121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1616   -8.8371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5905   -9.6621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7339   -7.5996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7339   -8.4246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8773   -3.8871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7096   -6.4447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4483   -3.8871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8773   -7.1871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7325   -7.1871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7845   -5.7739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3148   -5.1419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0194   -3.8871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1616   -7.1871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.2201   -4.2234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3049   -5.9497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3049   -5.1246    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.0194   -4.7121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.0194   -6.3622    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.7339   -5.1246    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5905   -7.1871    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.8759   -7.5996    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8759   -8.4246    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.5905   -8.8371    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3049   -8.4246    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.0194   -7.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1628   -5.1246    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.0194   -8.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8773   -4.7121    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.1628   -5.9497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.7339   -3.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6898   -4.8553    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4469   -7.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8773   -6.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7339   -2.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4469   -8.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9720   -5.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0326   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5629   -3.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20  1  1  1  0  0  0
 25  1  1  6  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 29  1  0  0  0  0
 24  4  1  6  0  0  0
 31  4  1  1  0  0  0
 21  5  1  6  0  0  0
 27  6  1  6  0  0  0
 28  7  1  1  0  0  0
  8 30  1  0  0  0  0
  9 32  1  0  0  0  0
 33 10  1  6  0  0  0
 34 11  1  1  0  0  0
 12 35  2  0  0  0  0
 13 38  1  0  0  0  0
 14 37  2  0  0  0  0
 15 41  2  0  0  0  0
 16 42  2  0  0  0  0
 22 17  1  1  0  0  0
 17 35  1  0  0  0  0
 26 18  1  1  0  0  0
 18 37  1  0  0  0  0
 36 19  1  1  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  1  0  0  0  0
 23 30  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 32  1  6  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 33 36  1  0  0  0  0
 34 38  1  0  0  0  0
 35 39  1  0  0  0  0
 36 41  1  0  0  0  0
 37 40  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0006698

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C24H41N3O16/c1-8(32)25-11(4-28)17(36)21(12(35)5-29)42-24-16(27-10(3)34)20(39)22(14(7-31)41-24)43-23-15(26-9(2)33)19(38)18(37)13(6-30)40-23/h4,11-24,29-31,35-39H,5-7H2,1-3H3,(H,25,32)(H,26,33)(H,27,34)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-/m0/s1

> <INCHI_KEY>
LRDDKCYRFNJZBX-WHFMPQCRSA-N

> <FORMULA>
C24H41N3O16

> <MOLECULAR_WEIGHT>
627.5928

> <EXACT_MASS>
627.248682279

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
59.66616964100968

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[(2R,3R,4S,5R)-4-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,6-trihydroxy-1-oxohexan-2-yl]acetamide

> <ALOGPS_LOGP>
-2.43

> <JCHEM_LOGP>
-7.974137435333333

> <ALOGPS_LOGS>
-1.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.934219949639338

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.340471123487646

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5238579397205694

> <JCHEM_POLAR_SURFACE_AREA>
303.1299999999999

> <JCHEM_REFRACTIVITY>
135.47609999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.78e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-[(2R,3R,4S,5R)-4-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,6-trihydroxy-1-oxohexan-2-yl]acetamide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0006698
     RDKit          3D
Tri-N-acetylchitotriose
 84 85  0  0  0  0  0  0  0  0999 V2000
   -5.3584    4.2438    0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585    3.1011   -0.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2673    3.0276   -1.6551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4018    2.0564   -0.7479 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4059    0.9286   -1.6537 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2611    1.0050   -2.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4879    1.9367   -2.4981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6381   -0.3740   -0.9766 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6109   -1.4100   -1.9240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7430   -0.6856    0.1874 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4190   -0.8760   -0.1139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5194   -0.1216    0.5974 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8295    0.6980   -0.2440 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3118    0.1499   -0.8069 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0110   -1.0144   -1.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1906   -1.5090   -2.2477 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3399   -0.2288    0.2338 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3313    0.7199    0.2784 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5974    0.2599    0.1180 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4282    0.3882    1.2279 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4585   -0.5393    1.0470 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3839   -0.5998    2.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9722    0.6458    2.4659 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2793   -0.3299   -0.1763 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0628   -1.4639   -0.3655 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3866   -0.2227   -1.4211 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0925    0.0756   -2.5514 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3594    0.8463   -1.0509 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5511    1.2618   -2.1416 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5894    2.5896   -2.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7469    3.0185   -3.7452 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    3.4114   -2.0493 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6916   -0.2392    1.6275 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5206   -0.8114    2.5594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6389   -0.9427    1.5081 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1900   -1.0537    2.8272 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3834   -2.2976    3.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9571   -2.3783    4.8379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0501   -3.3635    2.8565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2069   -2.0589    0.7220 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0025   -2.9641   -0.3102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6021   -2.0286    1.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6973   -1.0808    2.2706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0985    4.1009    0.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6809    5.1728   -0.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3783    4.3957    0.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6490    2.1399   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3182    1.1151   -2.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0914    0.2305   -3.2895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7252   -0.3473   -0.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5060   -1.5099   -2.3721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9156    0.0874    0.9651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1183    0.5272    1.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7568    0.9329   -1.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5928   -0.6792   -2.6111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6070   -1.8020   -1.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1774   -2.5130   -2.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7331   -1.2536    0.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5154   -0.8590   -0.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9773   -1.5581    0.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2061   -1.2964    1.9675 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8726   -0.9377    3.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9624    0.5752    2.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8634    0.5960   -0.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9461   -1.2378   -0.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8247   -1.1756   -1.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3036    1.0589   -2.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9932    1.6913   -0.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9248    0.5804   -2.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3804    4.0624   -3.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3389    3.0153   -4.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8384    2.3796   -3.8626 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4808    0.8226    1.9396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1150   -0.0853    2.9252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4367   -1.9573    1.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4611   -0.1872    3.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1681   -2.3390    5.5889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6422   -1.4962    5.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5335   -3.3089    5.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5441   -2.3799    1.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0115   -3.1331   -0.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3947   -1.8930    0.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7597   -3.0198    1.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1835   -0.2851    1.9822 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  2  0
  5  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 17 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  2  0
 10 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 35 12  1  0
 28 19  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  4 47  1  0
  5 48  1  6
  6 49  1  0
  8 50  1  1
  9 51  1  0
 10 52  1  1
 12 53  1  1
 14 54  1  6
 15 55  1  0
 15 56  1  0
 16 57  1  0
 17 58  1  6
 19 59  1  6
 21 60  1  6
 22 61  1  0
 22 62  1  0
 23 63  1  0
 24 64  1  1
 25 65  1  0
 26 66  1  6
 27 67  1  0
 28 68  1  1
 29 69  1  0
 31 70  1  0
 31 71  1  0
 31 72  1  0
 33 73  1  1
 34 74  1  0
 35 75  1  6
 36 76  1  0
 38 77  1  0
 38 78  1  0
 38 79  1  0
 40 80  1  1
 41 81  1  0
 42 82  1  0
 42 83  1  0
 43 84  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  O   UNK     0      29.102 -11.876   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      33.103 -11.106   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      30.436 -14.186   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      34.437  -8.796   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      29.102  -8.796   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      26.435 -16.496   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      29.102 -18.036   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      33.103 -14.186   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      33.103 -15.726   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      37.104  -7.256   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      34.925 -12.030   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      34.437  -7.256   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      37.104 -13.416   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      23.767 -13.416   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      40.664 -10.778   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      41.654  -9.598   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0      31.770  -7.256   0.000  0.00  0.00           N+0
HETATM   18  N   UNK     0      26.435 -13.416   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0      39.611  -7.884   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      30.436 -11.106   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      30.436  -9.566   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      31.770  -8.796   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      31.770 -11.876   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      33.103  -9.566   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      29.102 -13.416   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      27.768 -14.186   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      27.768 -15.726   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      29.102 -16.496   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      30.436 -15.726   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      31.770 -13.416   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      35.771  -9.566   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      31.770 -16.496   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      37.104  -8.796   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      35.771 -11.106   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      33.103  -6.486   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      38.621  -9.063   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      25.101 -14.186   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      37.104 -11.876   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      33.103  -4.946   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      25.101 -15.726   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      39.148 -10.510   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      41.128  -8.151   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      42.117  -6.971   0.000  0.00  0.00           C+0
CONECT    1   20   25                                                       
CONECT    2   23   24                                                       
CONECT    3   25   29                                                       
CONECT    4   24   31                                                       
CONECT    5   21                                                            
CONECT    6   27                                                            
CONECT    7   28                                                            
CONECT    8   30                                                            
CONECT    9   32                                                            
CONECT   10   33                                                            
CONECT   11   34                                                            
CONECT   12   35                                                            
CONECT   13   38                                                            
CONECT   14   37                                                            
CONECT   15   41                                                            
CONECT   16   42                                                            
CONECT   17   22   35                                                       
CONECT   18   26   37                                                       
CONECT   19   36   42                                                       
CONECT   20    1   21   23                                                  
CONECT   21    5   20   22                                                  
CONECT   22   17   21   24                                                  
CONECT   23    2   20   30                                                  
CONECT   24    2    4   22                                                  
CONECT   25    1    3   26                                                  
CONECT   26   18   25   27                                                  
CONECT   27    6   26   28                                                  
CONECT   28    7   27   29                                                  
CONECT   29    3   28   32                                                  
CONECT   30    8   23                                                       
CONECT   31    4   33   34                                                  
CONECT   32    9   29                                                       
CONECT   33   10   31   36                                                  
CONECT   34   11   31   38                                                  
CONECT   35   12   17   39                                                  
CONECT   36   19   33   41                                                  
CONECT   37   14   18   40                                                  
CONECT   38   13   34                                                       
CONECT   39   35                                                            
CONECT   40   37                                                            
CONECT   41   15   36                                                       
CONECT   42   16   19   43                                                  
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   88    0
END

COMPND    HMDB0006698
HETATM    1  C1  UNL     1      -5.358   4.244   0.139  1.00  0.00           C  
HETATM    2  C2  UNL     1      -5.359   3.101  -0.776  1.00  0.00           C  
HETATM    3  O1  UNL     1      -6.267   3.028  -1.655  1.00  0.00           O  
HETATM    4  N1  UNL     1      -4.402   2.056  -0.748  1.00  0.00           N  
HETATM    5  C3  UNL     1      -4.406   0.929  -1.654  1.00  0.00           C  
HETATM    6  C4  UNL     1      -3.261   1.005  -2.558  1.00  0.00           C  
HETATM    7  O2  UNL     1      -2.488   1.937  -2.498  1.00  0.00           O  
HETATM    8  C5  UNL     1      -4.638  -0.374  -0.977  1.00  0.00           C  
HETATM    9  O3  UNL     1      -4.611  -1.410  -1.924  1.00  0.00           O  
HETATM   10  C6  UNL     1      -3.743  -0.686   0.187  1.00  0.00           C  
HETATM   11  O4  UNL     1      -2.419  -0.876  -0.114  1.00  0.00           O  
HETATM   12  C7  UNL     1      -1.519  -0.122   0.597  1.00  0.00           C  
HETATM   13  O5  UNL     1      -0.829   0.698  -0.244  1.00  0.00           O  
HETATM   14  C8  UNL     1       0.312   0.150  -0.807  1.00  0.00           C  
HETATM   15  C9  UNL     1      -0.011  -1.014  -1.726  1.00  0.00           C  
HETATM   16  O6  UNL     1       1.191  -1.509  -2.248  1.00  0.00           O  
HETATM   17  C10 UNL     1       1.340  -0.229   0.234  1.00  0.00           C  
HETATM   18  O7  UNL     1       2.331   0.720   0.278  1.00  0.00           O  
HETATM   19  C11 UNL     1       3.597   0.260   0.118  1.00  0.00           C  
HETATM   20  O8  UNL     1       4.428   0.388   1.228  1.00  0.00           O  
HETATM   21  C12 UNL     1       5.459  -0.539   1.047  1.00  0.00           C  
HETATM   22  C13 UNL     1       6.384  -0.600   2.240  1.00  0.00           C  
HETATM   23  O9  UNL     1       6.972   0.646   2.466  1.00  0.00           O  
HETATM   24  C14 UNL     1       6.279  -0.330  -0.176  1.00  0.00           C  
HETATM   25  O10 UNL     1       7.063  -1.464  -0.365  1.00  0.00           O  
HETATM   26  C15 UNL     1       5.387  -0.223  -1.421  1.00  0.00           C  
HETATM   27  O11 UNL     1       6.092   0.076  -2.551  1.00  0.00           O  
HETATM   28  C16 UNL     1       4.359   0.846  -1.051  1.00  0.00           C  
HETATM   29  N2  UNL     1       3.551   1.262  -2.142  1.00  0.00           N  
HETATM   30  C17 UNL     1       3.589   2.590  -2.610  1.00  0.00           C  
HETATM   31  C18 UNL     1       2.747   3.018  -3.745  1.00  0.00           C  
HETATM   32  O12 UNL     1       4.352   3.411  -2.049  1.00  0.00           O  
HETATM   33  C19 UNL     1       0.692  -0.239   1.627  1.00  0.00           C  
HETATM   34  O13 UNL     1       1.521  -0.811   2.559  1.00  0.00           O  
HETATM   35  C20 UNL     1      -0.639  -0.943   1.508  1.00  0.00           C  
HETATM   36  N3  UNL     1      -1.190  -1.054   2.827  1.00  0.00           N  
HETATM   37  C21 UNL     1      -1.383  -2.298   3.475  1.00  0.00           C  
HETATM   38  C22 UNL     1      -1.957  -2.378   4.838  1.00  0.00           C  
HETATM   39  O14 UNL     1      -1.050  -3.363   2.857  1.00  0.00           O  
HETATM   40  C23 UNL     1      -4.207  -2.059   0.722  1.00  0.00           C  
HETATM   41  O15 UNL     1      -4.002  -2.964  -0.310  1.00  0.00           O  
HETATM   42  C24 UNL     1      -5.602  -2.029   1.239  1.00  0.00           C  
HETATM   43  O16 UNL     1      -5.697  -1.081   2.271  1.00  0.00           O  
HETATM   44  H1  UNL     1      -6.098   4.101   0.977  1.00  0.00           H  
HETATM   45  H2  UNL     1      -5.681   5.173  -0.412  1.00  0.00           H  
HETATM   46  H3  UNL     1      -4.378   4.396   0.639  1.00  0.00           H  
HETATM   47  H4  UNL     1      -3.649   2.140  -0.002  1.00  0.00           H  
HETATM   48  H5  UNL     1      -5.318   1.115  -2.324  1.00  0.00           H  
HETATM   49  H6  UNL     1      -3.091   0.230  -3.289  1.00  0.00           H  
HETATM   50  H7  UNL     1      -5.725  -0.347  -0.633  1.00  0.00           H  
HETATM   51  H8  UNL     1      -5.506  -1.510  -2.372  1.00  0.00           H  
HETATM   52  H9  UNL     1      -3.916   0.087   0.965  1.00  0.00           H  
HETATM   53  H10 UNL     1      -2.118   0.527   1.295  1.00  0.00           H  
HETATM   54  H11 UNL     1       0.757   0.933  -1.453  1.00  0.00           H  
HETATM   55  H12 UNL     1      -0.593  -0.679  -2.611  1.00  0.00           H  
HETATM   56  H13 UNL     1      -0.607  -1.802  -1.248  1.00  0.00           H  
HETATM   57  H14 UNL     1       1.177  -2.513  -2.285  1.00  0.00           H  
HETATM   58  H15 UNL     1       1.733  -1.254   0.074  1.00  0.00           H  
HETATM   59  H16 UNL     1       3.515  -0.859  -0.035  1.00  0.00           H  
HETATM   60  H17 UNL     1       4.977  -1.558   0.970  1.00  0.00           H  
HETATM   61  H18 UNL     1       7.206  -1.296   1.967  1.00  0.00           H  
HETATM   62  H19 UNL     1       5.873  -0.938   3.161  1.00  0.00           H  
HETATM   63  H20 UNL     1       7.962   0.575   2.559  1.00  0.00           H  
HETATM   64  H21 UNL     1       6.863   0.596  -0.152  1.00  0.00           H  
HETATM   65  H22 UNL     1       7.946  -1.238  -0.743  1.00  0.00           H  
HETATM   66  H23 UNL     1       4.825  -1.176  -1.464  1.00  0.00           H  
HETATM   67  H24 UNL     1       6.304   1.059  -2.533  1.00  0.00           H  
HETATM   68  H25 UNL     1       4.993   1.691  -0.641  1.00  0.00           H  
HETATM   69  H26 UNL     1       2.925   0.580  -2.600  1.00  0.00           H  
HETATM   70  H27 UNL     1       2.380   4.062  -3.644  1.00  0.00           H  
HETATM   71  H28 UNL     1       3.339   3.015  -4.702  1.00  0.00           H  
HETATM   72  H29 UNL     1       1.838   2.380  -3.863  1.00  0.00           H  
HETATM   73  H30 UNL     1       0.481   0.823   1.940  1.00  0.00           H  
HETATM   74  H31 UNL     1       2.115  -0.085   2.925  1.00  0.00           H  
HETATM   75  H32 UNL     1      -0.437  -1.957   1.136  1.00  0.00           H  
HETATM   76  H33 UNL     1      -1.461  -0.187   3.334  1.00  0.00           H  
HETATM   77  H34 UNL     1      -1.168  -2.339   5.589  1.00  0.00           H  
HETATM   78  H35 UNL     1      -2.642  -1.496   5.003  1.00  0.00           H  
HETATM   79  H36 UNL     1      -2.534  -3.309   5.013  1.00  0.00           H  
HETATM   80  H37 UNL     1      -3.544  -2.380   1.553  1.00  0.00           H  
HETATM   81  H38 UNL     1      -3.011  -3.133  -0.348  1.00  0.00           H  
HETATM   82  H39 UNL     1      -6.395  -1.893   0.506  1.00  0.00           H  
HETATM   83  H40 UNL     1      -5.760  -3.020   1.759  1.00  0.00           H  
HETATM   84  H41 UNL     1      -6.184  -0.285   1.982  1.00  0.00           H  
CONECT    1    2   44   45   46
CONECT    2    3    3    4
CONECT    4    5   47
CONECT    5    6    8   48
CONECT    6    7    7   49
CONECT    8    9   10   50
CONECT    9   51
CONECT   10   11   40   52
CONECT   11   12
CONECT   12   13   35   53
CONECT   13   14
CONECT   14   15   17   54
CONECT   15   16   55   56
CONECT   16   57
CONECT   17   18   33   58
CONECT   18   19
CONECT   19   20   28   59
CONECT   20   21
CONECT   21   22   24   60
CONECT   22   23   61   62
CONECT   23   63
CONECT   24   25   26   64
CONECT   25   65
CONECT   26   27   28   66
CONECT   27   67
CONECT   28   29   68
CONECT   29   30   69
CONECT   30   31   32   32
CONECT   31   70   71   72
CONECT   33   34   35   73
CONECT   34   74
CONECT   35   36   75
CONECT   36   37   76
CONECT   37   38   39   39
CONECT   38   77   78   79
CONECT   40   41   42   80
CONECT   41   81
CONECT   42   43   82   83
CONECT   43   84
END

HMDB0006698
     RDKit          3D
Tri-N-acetylchitotriose
 84 85  0  0  0  0  0  0  0  0999 V2000
   -5.3584    4.2438    0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585    3.1011   -0.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2673    3.0276   -1.6551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4018    2.0564   -0.7479 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4059    0.9286   -1.6537 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2611    1.0050   -2.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4879    1.9367   -2.4981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6381   -0.3740   -0.9766 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6109   -1.4100   -1.9240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7430   -0.6856    0.1874 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4190   -0.8760   -0.1139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5194   -0.1216    0.5974 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8295    0.6980   -0.2440 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3118    0.1499   -0.8069 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0110   -1.0144   -1.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1906   -1.5090   -2.2477 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3399   -0.2288    0.2338 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3313    0.7199    0.2784 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5974    0.2599    0.1180 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4282    0.3882    1.2279 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4585   -0.5393    1.0470 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3839   -0.5998    2.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9722    0.6458    2.4659 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2793   -0.3299   -0.1763 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0628   -1.4639   -0.3655 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3866   -0.2227   -1.4211 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0925    0.0756   -2.5514 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3594    0.8463   -1.0509 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5511    1.2618   -2.1416 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5894    2.5896   -2.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7469    3.0185   -3.7452 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    3.4114   -2.0493 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6916   -0.2392    1.6275 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5206   -0.8114    2.5594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6389   -0.9427    1.5081 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1900   -1.0537    2.8272 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3834   -2.2976    3.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9571   -2.3783    4.8379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0501   -3.3635    2.8565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2069   -2.0589    0.7220 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0025   -2.9641   -0.3102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6021   -2.0286    1.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6973   -1.0808    2.2706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0985    4.1009    0.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6809    5.1728   -0.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3783    4.3957    0.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6490    2.1399   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3182    1.1151   -2.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0914    0.2305   -3.2895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7252   -0.3473   -0.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5060   -1.5099   -2.3721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9156    0.0874    0.9651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1183    0.5272    1.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7568    0.9329   -1.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5928   -0.6792   -2.6111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6070   -1.8020   -1.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1774   -2.5130   -2.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7331   -1.2536    0.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5154   -0.8590   -0.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9773   -1.5581    0.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2061   -1.2964    1.9675 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8726   -0.9377    3.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9624    0.5752    2.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8634    0.5960   -0.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9461   -1.2378   -0.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8247   -1.1756   -1.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3036    1.0589   -2.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9932    1.6913   -0.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9248    0.5804   -2.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3804    4.0624   -3.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3389    3.0153   -4.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8384    2.3796   -3.8626 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4808    0.8226    1.9396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1150   -0.0853    2.9252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4367   -1.9573    1.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4611   -0.1872    3.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1681   -2.3390    5.5889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6422   -1.4962    5.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5335   -3.3089    5.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5441   -2.3799    1.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0115   -3.1331   -0.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3947   -1.8930    0.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7597   -3.0198    1.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1835   -0.2851    1.9822 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  2  0
  5  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 17 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  2  0
 10 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 35 12  1  0
 28 19  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  4 47  1  0
  5 48  1  6
  6 49  1  0
  8 50  1  1
  9 51  1  0
 10 52  1  1
 12 53  1  1
 14 54  1  6
 15 55  1  0
 15 56  1  0
 16 57  1  0
 17 58  1  6
 19 59  1  6
 21 60  1  6
 22 61  1  0
 22 62  1  0
 23 63  1  0
 24 64  1  1
 25 65  1  0
 26 66  1  6
 27 67  1  0
 28 68  1  1
 29 69  1  0
 31 70  1  0
 31 71  1  0
 31 72  1  0
 33 73  1  1
 34 74  1  0
 35 75  1  6
 36 76  1  0
 38 77  1  0
 38 78  1  0
 38 79  1  0
 40 80  1  1
 41 81  1  0
 42 82  1  0
 42 83  1  0
 43 84  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(g1CNAC)3	HMDB
N,N',n''-triacetyl chitotriose	HMDB
N,N',n''-triacetylchitintriose	HMDB
N,N',n''-triacetylchitotriose	HMDB
N-Acetylchitotriose	HMDB
Tri(N-acetyl-D-glucosamine)	HMDB
Tris(N-acetylglucosamine)	HMDB
TriGlcNAc	MeSH, HMDB
Tri-glcnac	MeSH, HMDB
O-2-acetamido-2-Deoxy-beta-D-glucopyranosyl-(1-4)-O-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1-4)-2-acetamido-2-deoxy-D-glucopyranose	MeSH, HMDB
N,N',n''- triacetyl chitotriose	MeSH, HMDB
N-[(2R,3R,4S,5R)-4-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,6-trihydroxy-1-oxohexan-2-yl]ethanimidate	Generator, HMDB

Chemical Formula

C₂₄H₄₁N₃O₁₆

Average Molecular Weight

627.5928

Monoisotopic Molecular Weight

627.248682279

IUPAC Name

N-[(2R,3R,4S,5R)-4-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,6-trihydroxy-1-oxohexan-2-yl]acetamide

Traditional Name

CAS Registry Number

38864-21-0

SMILES

CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO

InChI Identifier

InChI=1S/C24H41N3O16/c1-8(32)25-11(4-28)17(36)21(12(35)5-29)42-24-16(27-10(3)34)20(39)22(14(7-31)41-24)43-23-15(26-9(2)33)19(38)18(37)13(6-30)40-23/h4,11-24,29-31,35-39H,5-7H2,1-3H3,(H,25,32)(H,26,33)(H,27,34)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-/m0/s1

InChI Key

LRDDKCYRFNJZBX-WHFMPQCRSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

N-acyl-alpha-hexosamines

Alternative Parents

Substituents

N-acyl-alpha-hexosamine
Disaccharide
Glycosyl compound
O-glycosyl compound
Beta-hydroxy aldehyde
Oxane
Acetamide
Carboxamide group
Secondary carboxylic acid amide
Secondary alcohol
Acetal
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Organic oxide
Alcohol
Organopnictogen compound
Carbonyl group
Aldehyde
Organonitrogen compound
Primary alcohol
Organic nitrogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	304 - 306 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	57.8 g/L	ALOGPS
logP	-2.4	ALOGPS
logP	-8	ChemAxon
logS	-1	ALOGPS
pKa (Strongest Acidic)	11.34	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	303.13 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	135.48 m³·mol⁻¹	ChemAxon
Polarizability	59.67 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	232.845	30932474
DeepCCS	[M-H]-	231.121	30932474
DeepCCS	[M-2H]-	265.156	30932474
DeepCCS	[M+Na]+	239.174	30932474
AllCCS	[M+H]+	234.8	32859911
AllCCS	[M+H-H2O]+	234.0	32859911
AllCCS	[M+NH4]+	235.4	32859911
AllCCS	[M+Na]+	235.6	32859911
AllCCS	[M-H]-	237.1	32859911
AllCCS	[M+Na-2H]-	238.7	32859911
AllCCS	[M+HCOO]-	240.5	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	2.42 minutes	32390414
Predicted by Siyang on May 30, 2022	11.6699 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	7.57 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	467.1 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	906.5 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	228.6 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	53.4 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	197.2 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	75.7 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	364.7 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	332.3 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	883.4 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	701.2 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	113.2 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	1045.3 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	283.7 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	399.2 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	524.8 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	502.6 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	529.7 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Tri-N-acetylchitotriose	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	5040.6	Standard polar	33892256
Tri-N-acetylchitotriose	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4208.0	Standard non polar	33892256
Tri-N-acetylchitotriose	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	5010.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Tri-N-acetylchitotriose,1TMS,isomer #1	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4534.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TMS,isomer #10	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4548.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TMS,isomer #11	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4499.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TMS,isomer #12	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4503.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TMS,isomer #2	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4510.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TMS,isomer #3	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4525.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TMS,isomer #4	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4562.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TMS,isomer #5	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4548.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TMS,isomer #6	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4519.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TMS,isomer #7	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4541.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TMS,isomer #8	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4522.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TMS,isomer #9	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4710.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #1	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4386.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #10	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4408.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #11	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4405.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #12	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4382.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #13	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4428.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #14	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4418.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #15	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4378.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #16	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4410.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #17	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4394.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #18	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4585.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #19	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4427.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #2	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4388.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #20	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4375.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #21	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4380.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #22	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4441.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #23	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4424.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #24	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4379.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #25	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4412.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #26	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4398.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #27	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4591.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #28	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4429.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #29	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4372.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #3	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4441.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #30	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4377.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #31	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4435.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #32	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4429.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #33	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4455.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #34	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4439.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #35	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4619.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #36	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4467.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #37	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4415.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #38	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4424.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #39	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4425.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #4	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4438.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #40	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4444.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #41	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4430.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #42	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4609.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #43	CC(=O)N[C@H]1[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4454.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #44	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4429.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #45	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4412.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #46	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4409.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #47	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4394.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #48	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4580.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #49	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4433.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #5	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4390.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #50	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4387.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #51	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4433.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #52	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	4420.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #53	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4606.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #54	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4439.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #55	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4403.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #56	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	4403.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #57	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4595.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #58	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO[Si](C)(C)C)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4426.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #59	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4385.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #6	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4424.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #60	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	4386.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #61	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)C(=CO[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4504.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #62	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4560.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #63	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4560.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #64	CC(=O)N[C@H]1[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4437.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #65	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4426.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #66	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4377.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #7	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4401.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #8	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4611.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TMS,isomer #9	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[Si](C)(C)C)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4440.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #1	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4325.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #10	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4334.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #100	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4307.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #101	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4370.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #102	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4370.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #103	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4409.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #104	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4397.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #105	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4532.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #106	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4399.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #107	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4365.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #108	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4372.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #109	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4356.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #11	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4386.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #110	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4392.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #111	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4382.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #112	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4521.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #113	CC(=O)N[C@H]1[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4382.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #114	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4364.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #115	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4354.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #116	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4347.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #117	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4334.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #118	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4477.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #119	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4348.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #12	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4365.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #120	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4318.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #121	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4361.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #122	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	4351.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #123	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4508.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #124	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4350.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #125	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4341.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #126	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	4340.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #127	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4497.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #128	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO[Si](C)(C)C)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4342.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #129	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4324.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #13	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4319.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #130	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	4326.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #131	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)C(=CO[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4419.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #132	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4475.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #133	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4469.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #134	CC(=O)N[C@H]1[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4350.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #135	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4345.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #136	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4302.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #137	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4355.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #138	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4392.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #139	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4381.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #14	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4357.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #140	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4511.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #141	CC(=O)N[C@H]1[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4389.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #142	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4388.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #143	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4356.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #144	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4396.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #145	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4385.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #146	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4514.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #147	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4391.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #148	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4352.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #149	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4405.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #15	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4343.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #150	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	4405.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #151	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4552.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #152	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4388.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #153	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4369.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #154	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	4379.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #155	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4540.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #156	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO[Si](C)(C)C)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4383.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #157	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4353.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #158	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	4365.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #159	CC(=O)N[C@H]1[C@H](O[C@H]([C@H](O)CO)[C@H](O)C(=CO[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O	4443.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #16	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4514.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #160	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4499.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #161	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4505.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #162	CC(=O)N[C@H]1[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4361.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #163	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4365.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #164	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4319.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #165	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4384.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #166	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4373.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #167	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4506.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #168	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	4377.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #169	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4374.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #17	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[Si](C)(C)C)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4369.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #170	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4392.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #171	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	4388.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #172	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4537.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #173	CC(=O)N[C@H]1[C@H](O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4377.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #174	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4387.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #175	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	4368.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #176	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4528.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #177	CC(=O)N[C@H]1[C@H](O[C@H]([C@H](O)CO[Si](C)(C)C)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4371.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #178	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4371.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #179	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	4353.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #18	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4335.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #180	CC(=O)N[C@H]1[C@H](O[C@H]([C@H](O)CO)[C@H](O)C(=CO[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4439.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #181	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4505.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #182	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4490.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #183	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	4352.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #184	CC(=O)N[C@H]1[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4387.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #185	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4341.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #186	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	4353.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #187	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4498.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #188	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4351.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #189	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4348.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #19	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4334.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #190	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	4383.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #191	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4487.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #192	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO[Si](C)(C)C)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4343.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #193	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4331.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #194	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	4366.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #195	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)C(=CO[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4412.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #196	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4470.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #197	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4501.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #198	CC(=O)N[C@H]1[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4357.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #199	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4386.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #2	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4383.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #20	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4370.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #200	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4359.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #201	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	4504.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #202	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4356.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #203	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	4343.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #204	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	4338.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #205	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O)C(=CO[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4423.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #206	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4498.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #207	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	4488.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #208	CC(=O)N[C@H]1[C@H](O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4349.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #209	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4328.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #21	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4369.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #210	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	4317.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #211	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO[Si](C)(C)C)[C@H](O)C(=CO[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4412.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #212	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4487.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #213	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	4479.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #214	CC(=O)N[C@H]1[C@H](O[C@H]([C@H](O)CO[Si](C)(C)C)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4342.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #215	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO[Si](C)(C)C)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4326.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #216	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	4308.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #217	CC(=O)N[C@H]1[C@H](O[C@H]([C@H](O)CO)[C@H](O)C(=CO[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4426.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #218	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)C(=CO[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4407.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #219	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4458.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #22	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4408.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #220	CC(=O)N([C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	4347.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #23	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4396.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #24	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4553.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #25	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[Si](C)(C)C)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4405.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #26	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4362.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #27	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4372.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #28	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4358.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #29	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4397.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #3	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4367.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #30	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4385.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #31	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4540.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #32	CC(=O)N[C@H]1[C@H](O[C@H]([C@H](O)CO)[C@H](O[Si](C)(C)C)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4391.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #33	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4382.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #34	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4360.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #35	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4359.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #36	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4342.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #37	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4505.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #38	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[Si](C)(C)C)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4369.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #39	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4342.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #4	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4327.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #40	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4378.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #41	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	4365.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #42	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4537.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #43	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4384.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #44	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4358.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #45	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	4344.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #46	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4526.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #47	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4363.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #48	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4339.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #49	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	4337.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #5	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4361.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #50	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[Si](C)(C)C)C(=CO[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4425.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #51	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4507.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #52	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4498.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #53	CC(=O)N[C@H]1[C@H](O[C@H]([C@H](O)CO)[C@H](O[Si](C)(C)C)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4380.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #54	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[Si](C)(C)C)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4364.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #55	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4323.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #56	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4378.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #57	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4360.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #58	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4317.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #59	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4350.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #6	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4347.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #60	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4336.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #61	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4489.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #62	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	4348.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #63	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4319.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #64	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4319.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #65	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4360.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #66	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4371.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #67	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4404.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #68	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4391.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #69	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4531.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #7	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4509.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #70	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	4393.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #71	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4351.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #72	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4364.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #73	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4356.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #74	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4388.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #75	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4375.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #76	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4520.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #77	CC(=O)N[C@H]1[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4379.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #78	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4366.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #79	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4348.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #8	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[Si](C)(C)C)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4368.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #80	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4354.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #81	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4338.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #82	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4480.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #83	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4348.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #84	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4328.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #85	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4356.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #86	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	4348.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #87	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4512.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #88	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4349.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #89	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C	4345.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #9	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4342.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #90	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	4338.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #91	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4498.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #92	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@H]([C@H](O)CO[Si](C)(C)C)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4341.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #93	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C	4327.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #94	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	4324.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #95	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)C(=CO[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4421.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #96	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4478.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #97	CC(=O)NC(=CO[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C)[C@H](O)CO	4469.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #98	CC(=O)N[C@H]1[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O	4355.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,3TMS,isomer #99	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4337.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TBDMS,isomer #1	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4729.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TBDMS,isomer #10	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4719.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TBDMS,isomer #11	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4690.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TBDMS,isomer #12	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O)CO	4682.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TBDMS,isomer #2	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4702.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TBDMS,isomer #3	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4714.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TBDMS,isomer #4	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4732.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TBDMS,isomer #5	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4728.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TBDMS,isomer #6	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4701.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TBDMS,isomer #7	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	4721.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TBDMS,isomer #8	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C(C)(C)C	4720.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,1TBDMS,isomer #9	CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4920.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #1	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4793.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #10	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4820.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #11	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O)CO	4808.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #12	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4783.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #13	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4808.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #14	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4798.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #15	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4758.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #16	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	4803.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #17	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C(C)(C)C	4809.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #18	CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4949.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #19	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4808.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #2	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4796.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #20	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4795.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #21	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O)CO	4785.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #22	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4807.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #23	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4804.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #24	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4757.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #25	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	4810.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #26	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C(C)(C)C	4815.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #27	CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4958.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #28	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4807.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #29	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4789.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #3	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4822.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #30	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O)CO	4785.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #31	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4781.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #32	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4780.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #33	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	4825.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #34	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C(C)(C)C	4832.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #35	CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4971.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #36	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4831.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #37	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4808.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #38	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O)CO	4812.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #39	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4773.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #4	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4816.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #40	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	4816.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #41	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C(C)(C)C	4826.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #42	CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4971.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #43	CC(=O)N[C@H]1[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@@H]1O	4815.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #44	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4819.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #45	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O)CO	4797.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #46	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	4778.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #47	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C(C)(C)C	4785.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #48	CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4933.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #49	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4784.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #5	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4771.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #50	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(C)=O)[C@H](O)CO	4780.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #51	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O)CO	4804.0	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #52	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4802.3	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #53	CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	4972.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #54	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4802.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #55	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	4812.1	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #56	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	4798.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #57	CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C(C)(C)C	4976.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #58	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4816.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #59	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C(C)(C)C	4816.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #6	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	4819.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #60	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	4806.8	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #61	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)C(=CO[Si](C)(C)C(C)(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4925.4	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #62	CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4953.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #63	CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O)CO	4948.5	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #64	CC(=O)N[C@H]1[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O	4812.9	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #65	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4796.6	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #66	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O)CO	4782.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #7	CC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[Si](C)(C)C(C)(C)C	4821.7	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #8	CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO	4970.2	Semi standard non polar	33892256
Tri-N-acetylchitotriose,2TBDMS,isomer #9	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4813.1	Semi standard non polar	33892256

Spectra

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB024030

KNApSAcK ID

Not Available

Chemspider ID

110328

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

123774

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Singh, Suddham; Packwood, John; Samuel, Christopher J.; Critchley, P.; Crout, David H. G. Glycosidase-catalyzed oligosaccharide synthesis: preparation of N-acetylchito-oligosaccharides using the b-N-acetylhexosaminidase of Aspergillus oryzae. Carbohydrate Research (1995), 279 293-305.

Material Safety Data Sheet (MSDS)

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General References

Prieels JP, Dolmans M, Schindler M, Sharon N: The binding of glycoconjugates to human-milk D-galactosyltransferase. Eur J Biochem. 1976 Jul 15;66(3):579-82. [PubMed:821753 ]
Silano M, De Vincenzi M: Bioactive antinutritional peptides derived from cereal prolamins: a review. Nahrung. 1999 Jun;43(3):175-84. [PubMed:10399351 ]

Showing metabocard for Tri-N-acetylchitotriose (HMDB0006698)

MOL for HMDB0006698 (Tri-N-acetylchitotriose)

3D MOL for HMDB0006698 (Tri-N-acetylchitotriose)

3D SDF for HMDB0006698 (Tri-N-acetylchitotriose)

3D-SDF for HMDB0006698 (Tri-N-acetylchitotriose)

PDB for HMDB0006698 (Tri-N-acetylchitotriose)

3D PDB for HMDB0006698 (Tri-N-acetylchitotriose)

SMILES for HMDB0006698 (Tri-N-acetylchitotriose)

INCHI for HMDB0006698 (Tri-N-acetylchitotriose)

Structure for HMDB0006698 (Tri-N-acetylchitotriose)

3D Structure for HMDB0006698 (Tri-N-acetylchitotriose)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized