MiMeDB: Showing metabocard for (6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide (MMDBc0031785)

Plant

Animal

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 01:49:14 UTC

Update Date

2022-08-31 18:24:44 UTC

Metabolite ID

MMDBc0031785

Metabolite Identification

Common Name

(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide

Description

(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide is a substrate for the enzymes ATP-dependent NAD(P)H-hydrate dehydratase which catalyzes the reaction ATP + (6S)-6beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide = ADP + phosphate + NADH. This is an intermediate in NADH "repair".

Structure

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


  Mrv1652306222023412D          

 54 58  0  0  1  0            999 V2000
   -9.3338   -1.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7817   -2.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2719   -1.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8316   -1.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5683   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0788   -1.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5853   -1.6065    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0992   -1.0091    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.9748   -2.4231    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7568   -0.7995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8838   -1.2640    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5773   -0.7133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3687   -0.5966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6309   -0.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9129   -1.4670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8838    0.0709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6378    3.1729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4378   -0.7554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7198   -1.6385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4227   -3.0362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2048   -0.1865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -2.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9898    0.0012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1937   -0.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3759    0.2008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0749   -1.0390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7461   -2.5464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4743   -0.9759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5045   -2.3108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1642   -1.4572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220   -1.1584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2998   -2.0190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992   -0.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6568   -2.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4105   -1.7927    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9894   -1.6433    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9442   -1.0873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2282   -1.8239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2297   -3.2078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0525   -0.0293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6986   -1.3931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4012   -0.7565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7432    0.1385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1264   -2.2639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3004    0.6542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  8  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  1  0  0  0
 10  5  1  1  0  0  0
 11  2  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 12  2  0  0  0  0
 18  8  1  0  0  0  0
 19 12  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  2  0  0  0  0
 24  6  2  0  0  0  0
 24 17  1  0  0  0  0
 25  6  1  0  0  0  0
 25 19  2  0  0  0  0
 26  7  2  0  0  0  0
 26 12  1  0  0  0  0
 27  3  1  0  0  0  0
 27 11  1  0  0  0  0
 20 27  1  1  0  0  0
 28  7  1  0  0  0  0
 28 19  1  0  0  0  0
 21 28  1  1  0  0  0
 11 29  1  1  0  0  0
 13 30  1  6  0  0  0
 14 31  1  6  0  0  0
 15 32  1  6  0  0  0
 16 33  1  6  0  0  0
 34 18  1  0  0  0  0
 39  4  1  0  0  0  0
 40  5  1  0  0  0  0
 41  9  1  0  0  0  0
 41 20  1  0  0  0  0
 42 10  1  0  0  0  0
 42 21  1  0  0  0  0
 44 35  1  0  0  0  0
 44 36  2  0  0  0  0
 44 39  1  0  0  0  0
 44 43  1  0  0  0  0
 45 37  1  0  0  0  0
 45 38  2  0  0  0  0
 45 40  1  0  0  0  0
 45 43  1  0  0  0  0
  9 46  1  6  0  0  0
 10 47  1  6  0  0  0
 11 48  1  6  0  0  0
 13 49  1  1  0  0  0
 14 50  1  1  0  0  0
 15 51  1  1  0  0  0
 16 52  1  1  0  0  0
 20 53  1  6  0  0  0
 21 54  1  6  0  0  0
M  END

HMDB0059644
     RDKit          3D
NADHX
 76 80  0  0  0  0  0  0  0  0999 V2000
   -9.0841    3.1057    2.2670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8790    2.4945    1.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7896    2.9784    2.2334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9024    1.3124    1.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7446    0.7372    0.6674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7059   -0.4279   -0.1462 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5409   -0.7981   -0.9266 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4091   -0.9835   -0.1708 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3250   -0.6000   -0.9630 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0868   -0.3921   -0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7784   -1.5683    0.5155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4212   -1.4808    1.4849 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.8335   -0.9388    2.8325 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3011   -2.9987    1.7086 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7436   -0.4207    0.8541 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379   -0.4813    1.7801 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.1953    0.7650    2.6244 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0659   -1.8360    2.8060 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5332   -0.6071    0.8691 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3416   -1.3815   -0.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6136   -1.4806   -1.0715 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0906   -0.2630   -1.5037 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4544   -0.3141   -1.5667 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9886    0.7556   -0.7275 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3178    1.6078    0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1568    2.4500    0.6797 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4062    2.1601    0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6599    2.6612    0.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8155    3.7454    1.4643 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7503    2.1258   -0.0068 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6483    1.0838   -0.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4178    0.6198   -1.1213 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2958    1.1003   -0.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9388   -1.6172   -1.0310 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1744   -2.4831   -2.1088 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7281   -2.1326   -0.2812 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6506   -3.5213   -0.3295 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8412    0.7124   -1.5405 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1089    1.1185   -2.6424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2654    0.3317   -1.8962 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2283   -0.1368   -3.2242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9235   -1.2500   -0.1563 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.0637   -1.9707    1.0096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0991   -0.3349   -0.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2066    0.7534    0.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9617    2.5776    2.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1873    4.1610    2.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7821    1.1631    0.9883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8143   -1.6953   -1.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1733   -1.2834   -1.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2542    0.4071    0.6147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690   -0.0977   -0.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3055   -3.5320    0.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8641   -1.5696    3.7228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5243   -0.9962   -0.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0526   -2.4124    0.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4134   -2.0971   -1.9737 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7982   -0.1585   -2.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2505    1.6173    0.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4725    4.7020    1.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2695    3.6548    2.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5154    0.6504   -1.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8298   -1.5294   -0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6097   -2.2560   -2.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7583   -1.7512    0.7584 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1576   -3.8292   -1.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8229    1.5260   -0.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6679    1.9922   -2.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9777    1.1542   -1.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2504    0.6397   -3.8158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9034   -1.9727   -1.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1865   -2.3016    1.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0188   -0.9804   -0.2799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1234    0.0143   -1.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8405    1.5678    0.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7770    0.4353    1.5246 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  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
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 12 13  2  0
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 32 33  2  0
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 34 36  1  0
 36 37  1  0
  9 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
  6 42  1  0
 42 43  1  0
 42 44  1  0
 44 45  1  0
 45  4  1  0
 40  7  1  0
 36 21  1  0
 33 24  1  0
 33 27  1  0
  1 46  1  0
  1 47  1  0
  5 48  1  0
  7 49  1  6
  9 50  1  6
 10 51  1  0
 10 52  1  0
 14 53  1  0
 18 54  1  0
 20 55  1  0
 20 56  1  0
 21 57  1  6
 23 58  1  6
 25 59  1  0
 29 60  1  0
 29 61  1  0
 31 62  1  0
 34 63  1  1
 35 64  1  0
 36 65  1  1
 37 66  1  0
 38 67  1  1
 39 68  1  0
 40 69  1  6
 41 70  1  0
 42 71  1  6
 43 72  1  0
 44 73  1  0
 44 74  1  0
 45 75  1  0
 45 76  1  0
M  END


  Mrv1652306222023412D          

 54 58  0  0  1  0            999 V2000
   -9.3338   -1.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7817   -2.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2719   -1.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8316   -1.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5683   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0788   -1.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5853   -1.6065    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0992   -1.0091    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.9748   -2.4231    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7568   -0.7995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8838   -1.2640    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.3687   -0.5966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -7.4012   -0.7565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7432    0.1385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1264   -2.2639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3004    0.6542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  8  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  1  0  0  0
 10  5  1  1  0  0  0
 11  2  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
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 28  7  1  0  0  0  0
 28 19  1  0  0  0  0
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 11 29  1  1  0  0  0
 13 30  1  6  0  0  0
 14 31  1  6  0  0  0
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 16 33  1  6  0  0  0
 34 18  1  0  0  0  0
 39  4  1  0  0  0  0
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 41  9  1  0  0  0  0
 41 20  1  0  0  0  0
 42 10  1  0  0  0  0
 42 21  1  0  0  0  0
 44 35  1  0  0  0  0
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 44 39  1  0  0  0  0
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 45 37  1  0  0  0  0
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 45 40  1  0  0  0  0
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  9 46  1  6  0  0  0
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 11 48  1  6  0  0  0
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 14 50  1  1  0  0  0
 15 51  1  1  0  0  0
 16 52  1  1  0  0  0
 20 53  1  6  0  0  0
 21 54  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0031785

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@]1(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=C(CC[C@]3([H])O)C(O)=N)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C21H31N7O15P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(33)14(31)10(42-21)5-40-45(37,38)43-44(35,36)39-4-9-13(30)15(32)20(41-9)27-3-8(18(23)34)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-33H,1-2,4-5H2,(H2,23,34)(H,35,36)(H,37,38)(H2,22,24,25)/t9-,10-,11+,13-,14-,15-,16-,20-,21-/m1/s1

> <INCHI_KEY>
IDBZKGQRLBFUFQ-VPHRTNKSSA-N

> <FORMULA>
C21H31N7O15P2

> <MOLECULAR_WEIGHT>
683.4563

> <EXACT_MASS>
683.135336381

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
58.68486602768337

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5R)-5-[(2S)-5-carbamoyl-2-hydroxy-1,2,3,4-tetrahydropyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid

> <ALOGPS_LOGP>
-1.87

> <JCHEM_LOGP>
-6.460440654656475

> <ALOGPS_LOGS>
-2.04

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.1873688391710955

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.85364091897691

> <JCHEM_PKA_STRONGEST_BASIC>
4.00903396099367

> <JCHEM_POLAR_SURFACE_AREA>
337.8499999999999

> <JCHEM_REFRACTIVITY>
144.0469

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.26e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(S)-nadhx

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0059644
     RDKit          3D
NADHX
 76 80  0  0  0  0  0  0  0  0999 V2000
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 45 76  1  0
M  END

HEADER    PROTEIN                                 22-JUN-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-JUN-20         0                                  
HETATM    1  C   UNK     0     -17.423  -3.699   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -16.393  -4.843   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -15.441  -1.914   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -9.019  -3.625   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.061  -2.789   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.258   2.073   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.220   2.843   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -16.947  -2.234   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -10.426  -2.999   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.185  -1.884   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -14.886  -4.523   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.590   3.613   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -10.746  -1.492   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.650  -2.359   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -12.278  -1.331   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.555  -1.114   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.924   4.383   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -17.978  -1.090   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.590   2.073   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -12.904  -2.738   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.650   0.132   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0       4.924   5.923   0.000  0.00  0.00           N+0
HETATM   23  N   UNK     0     -19.484  -1.410   0.000  0.00  0.00           N+0
HETATM   24  N   UNK     0       6.258   3.613   0.000  0.00  0.00           N+0
HETATM   25  N   UNK     0       4.924   1.303   0.000  0.00  0.00           N+0
HETATM   26  N   UNK     0       2.126   4.089   0.000  0.00  0.00           N+0
HETATM   27  N   UNK     0     -14.410  -3.059   0.000  0.00  0.00           N+0
HETATM   28  N   UNK     0       2.126   1.597   0.000  0.00  0.00           N+0
HETATM   29  O   UNK     0     -13.856  -5.668   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -9.716  -0.348   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       2.126  -3.824   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0     -13.048   0.002   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       4.095  -1.114   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0     -17.502   0.375   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -5.740  -1.939   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -6.993  -4.753   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -4.619  -1.822   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -2.808  -4.313   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -7.773  -2.720   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -2.468  -2.162   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0     -11.760  -3.769   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       0.185  -0.344   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      -4.959  -3.973   0.000  0.00  0.00           O+0
HETATM   44  P   UNK     0      -6.366  -3.346   0.000  0.00  0.00           P+0
HETATM   45  P   UNK     0      -3.714  -3.067   0.000  0.00  0.00           P+0
HETATM   46  H   UNK     0      -9.229  -2.030   0.000  0.00  0.00           H+0
HETATM   47  H   UNK     0       0.426  -3.405   0.000  0.00  0.00           H+0
HETATM   48  H   UNK     0     -15.362  -5.988   0.000  0.00  0.00           H+0
HETATM   49  H   UNK     0     -11.298  -0.055   0.000  0.00  0.00           H+0
HETATM   50  H   UNK     0       3.171  -2.600   0.000  0.00  0.00           H+0
HETATM   51  H   UNK     0     -13.816  -1.412   0.000  0.00  0.00           H+0
HETATM   52  H   UNK     0       3.254   0.259   0.000  0.00  0.00           H+0
HETATM   53  H   UNK     0     -13.303  -4.226   0.000  0.00  0.00           H+0
HETATM   54  H   UNK     0       0.561   1.221   0.000  0.00  0.00           H+0
CONECT    1    2    8                                                       
CONECT    2    1   11                                                       
CONECT    3    8   27                                                       
CONECT    4    9   39                                                       
CONECT    5   10   40                                                       
CONECT    6   24   25                                                       
CONECT    7   26   28                                                       
CONECT    8    1    3   18                                                  
CONECT    9    4   13   41   46                                             
CONECT   10    5   14   42   47                                             
CONECT   11    2   27   29   48                                             
CONECT   12   17   19   26                                                  
CONECT   13    9   15   30   49                                             
CONECT   14   10   16   31   50                                             
CONECT   15   13   20   32   51                                             
CONECT   16   14   21   33   52                                             
CONECT   17   12   22   24                                                  
CONECT   18    8   23   34                                                  
CONECT   19   12   25   28                                                  
CONECT   20   15   27   41   53                                             
CONECT   21   16   28   42   54                                             
CONECT   22   17                                                            
CONECT   23   18                                                            
CONECT   24    6   17                                                       
CONECT   25    6   19                                                       
CONECT   26    7   12                                                       
CONECT   27    3   11   20                                                  
CONECT   28    7   19   21                                                  
CONECT   29   11                                                            
CONECT   30   13                                                            
CONECT   31   14                                                            
CONECT   32   15                                                            
CONECT   33   16                                                            
CONECT   34   18                                                            
CONECT   35   44                                                            
CONECT   36   44                                                            
CONECT   37   45                                                            
CONECT   38   45                                                            
CONECT   39    4   44                                                       
CONECT   40    5   45                                                       
CONECT   41    9   20                                                       
CONECT   42   10   21                                                       
CONECT   43   44   45                                                       
CONECT   44   35   36   39   43                                             
CONECT   45   37   38   40   43                                             
CONECT   46    9                                                            
CONECT   47   10                                                            
CONECT   48   11                                                            
CONECT   49   13                                                            
CONECT   50   14                                                            
CONECT   51   15                                                            
CONECT   52   16                                                            
CONECT   53   20                                                            
CONECT   54   21                                                            
MASTER        0    0    0    0    0    0    0    0   54    0  116    0
END

COMPND    HMDB0059644
HETATM    1  N1  UNL     1      -9.084   3.106   2.267  1.00  0.00           N  
HETATM    2  C1  UNL     1      -7.879   2.494   1.869  1.00  0.00           C  
HETATM    3  O1  UNL     1      -6.790   2.978   2.233  1.00  0.00           O  
HETATM    4  C2  UNL     1      -7.902   1.312   1.042  1.00  0.00           C  
HETATM    5  C3  UNL     1      -6.745   0.737   0.667  1.00  0.00           C  
HETATM    6  N2  UNL     1      -6.706  -0.428  -0.146  1.00  0.00           N  
HETATM    7  C4  UNL     1      -5.541  -0.798  -0.927  1.00  0.00           C  
HETATM    8  O2  UNL     1      -4.409  -0.983  -0.171  1.00  0.00           O  
HETATM    9  C5  UNL     1      -3.325  -0.600  -0.963  1.00  0.00           C  
HETATM   10  C6  UNL     1      -2.087  -0.392  -0.124  1.00  0.00           C  
HETATM   11  O3  UNL     1      -1.778  -1.568   0.516  1.00  0.00           O  
HETATM   12  P1  UNL     1      -0.421  -1.481   1.485  1.00  0.00           P  
HETATM   13  O4  UNL     1      -0.834  -0.939   2.832  1.00  0.00           O  
HETATM   14  O5  UNL     1       0.301  -2.999   1.709  1.00  0.00           O  
HETATM   15  O6  UNL     1       0.744  -0.421   0.854  1.00  0.00           O  
HETATM   16  P2  UNL     1       2.138  -0.481   1.780  1.00  0.00           P  
HETATM   17  O7  UNL     1       2.195   0.765   2.624  1.00  0.00           O  
HETATM   18  O8  UNL     1       2.066  -1.836   2.806  1.00  0.00           O  
HETATM   19  O9  UNL     1       3.533  -0.607   0.869  1.00  0.00           O  
HETATM   20  C7  UNL     1       3.342  -1.381  -0.266  1.00  0.00           C  
HETATM   21  C8  UNL     1       4.614  -1.481  -1.071  1.00  0.00           C  
HETATM   22  O10 UNL     1       5.091  -0.263  -1.504  1.00  0.00           O  
HETATM   23  C9  UNL     1       6.454  -0.314  -1.567  1.00  0.00           C  
HETATM   24  N3  UNL     1       6.989   0.756  -0.727  1.00  0.00           N  
HETATM   25  C10 UNL     1       6.318   1.608   0.067  1.00  0.00           C  
HETATM   26  N4  UNL     1       7.157   2.450   0.680  1.00  0.00           N  
HETATM   27  C11 UNL     1       8.406   2.160   0.292  1.00  0.00           C  
HETATM   28  C12 UNL     1       9.660   2.661   0.569  1.00  0.00           C  
HETATM   29  N5  UNL     1       9.815   3.745   1.464  1.00  0.00           N  
HETATM   30  N6  UNL     1      10.750   2.126  -0.007  1.00  0.00           N  
HETATM   31  C13 UNL     1      10.648   1.084  -0.872  1.00  0.00           C  
HETATM   32  N7  UNL     1       9.418   0.620  -1.121  1.00  0.00           N  
HETATM   33  C14 UNL     1       8.296   1.100  -0.588  1.00  0.00           C  
HETATM   34  C15 UNL     1       6.939  -1.617  -1.031  1.00  0.00           C  
HETATM   35  O11 UNL     1       7.174  -2.483  -2.109  1.00  0.00           O  
HETATM   36  C16 UNL     1       5.728  -2.133  -0.281  1.00  0.00           C  
HETATM   37  O12 UNL     1       5.651  -3.521  -0.330  1.00  0.00           O  
HETATM   38  C17 UNL     1      -3.841   0.712  -1.540  1.00  0.00           C  
HETATM   39  O13 UNL     1      -3.109   1.118  -2.642  1.00  0.00           O  
HETATM   40  C18 UNL     1      -5.265   0.332  -1.896  1.00  0.00           C  
HETATM   41  O14 UNL     1      -5.228  -0.137  -3.224  1.00  0.00           O  
HETATM   42  C19 UNL     1      -7.924  -1.250  -0.156  1.00  0.00           C  
HETATM   43  O15 UNL     1      -8.064  -1.971   1.010  1.00  0.00           O  
HETATM   44  C20 UNL     1      -9.099  -0.335  -0.395  1.00  0.00           C  
HETATM   45  C21 UNL     1      -9.207   0.753   0.620  1.00  0.00           C  
HETATM   46  H1  UNL     1      -9.962   2.578   2.521  1.00  0.00           H  
HETATM   47  H2  UNL     1      -9.187   4.161   2.339  1.00  0.00           H  
HETATM   48  H3  UNL     1      -5.782   1.163   0.988  1.00  0.00           H  
HETATM   49  H4  UNL     1      -5.814  -1.695  -1.525  1.00  0.00           H  
HETATM   50  H5  UNL     1      -3.173  -1.283  -1.797  1.00  0.00           H  
HETATM   51  H6  UNL     1      -2.254   0.407   0.615  1.00  0.00           H  
HETATM   52  H7  UNL     1      -1.269  -0.098  -0.837  1.00  0.00           H  
HETATM   53  H8  UNL     1       0.305  -3.532   0.876  1.00  0.00           H  
HETATM   54  H9  UNL     1       1.864  -1.570   3.723  1.00  0.00           H  
HETATM   55  H10 UNL     1       2.524  -0.996  -0.908  1.00  0.00           H  
HETATM   56  H11 UNL     1       3.053  -2.412   0.021  1.00  0.00           H  
HETATM   57  H12 UNL     1       4.413  -2.097  -1.974  1.00  0.00           H  
HETATM   58  H13 UNL     1       6.798  -0.159  -2.632  1.00  0.00           H  
HETATM   59  H14 UNL     1       5.250   1.617   0.198  1.00  0.00           H  
HETATM   60  H15 UNL     1       9.472   4.702   1.211  1.00  0.00           H  
HETATM   61  H16 UNL     1      10.270   3.655   2.404  1.00  0.00           H  
HETATM   62  H17 UNL     1      11.515   0.650  -1.337  1.00  0.00           H  
HETATM   63  H18 UNL     1       7.830  -1.529  -0.379  1.00  0.00           H  
HETATM   64  H19 UNL     1       6.610  -2.256  -2.887  1.00  0.00           H  
HETATM   65  H20 UNL     1       5.758  -1.751   0.758  1.00  0.00           H  
HETATM   66  H21 UNL     1       5.158  -3.829  -1.135  1.00  0.00           H  
HETATM   67  H22 UNL     1      -3.823   1.526  -0.785  1.00  0.00           H  
HETATM   68  H23 UNL     1      -2.668   1.992  -2.494  1.00  0.00           H  
HETATM   69  H24 UNL     1      -5.978   1.154  -1.787  1.00  0.00           H  
HETATM   70  H25 UNL     1      -5.250   0.640  -3.816  1.00  0.00           H  
HETATM   71  H26 UNL     1      -7.903  -1.973  -1.004  1.00  0.00           H  
HETATM   72  H27 UNL     1      -7.186  -2.302   1.307  1.00  0.00           H  
HETATM   73  H28 UNL     1     -10.019  -0.980  -0.280  1.00  0.00           H  
HETATM   74  H29 UNL     1      -9.123   0.014  -1.444  1.00  0.00           H  
HETATM   75  H30 UNL     1      -9.841   1.568   0.162  1.00  0.00           H  
HETATM   76  H31 UNL     1      -9.777   0.435   1.525  1.00  0.00           H  
CONECT    1    2   46   47
CONECT    2    3    3    4
CONECT    4    5    5   45
CONECT    5    6   48
CONECT    6    7   42
CONECT    7    8   40   49
CONECT    8    9
CONECT    9   10   38   50
CONECT   10   11   51   52
CONECT   11   12
CONECT   12   13   13   14   15
CONECT   14   53
CONECT   15   16
CONECT   16   17   17   18   19
CONECT   18   54
CONECT   19   20
CONECT   20   21   55   56
CONECT   21   22   36   57
CONECT   22   23
CONECT   23   24   34   58
CONECT   24   25   33
CONECT   25   26   26   59
CONECT   26   27
CONECT   27   28   28   33
CONECT   28   29   30
CONECT   29   60   61
CONECT   30   31   31
CONECT   31   32   62
CONECT   32   33   33
CONECT   34   35   36   63
CONECT   35   64
CONECT   36   37   65
CONECT   37   66
CONECT   38   39   40   67
CONECT   39   68
CONECT   40   41   69
CONECT   41   70
CONECT   42   43   44   71
CONECT   43   72
CONECT   44   45   73   74
CONECT   45   75   76
END

HMDB0059644
     RDKit          3D
NADHX
 76 80  0  0  0  0  0  0  0  0999 V2000
   -9.0841    3.1057    2.2670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8790    2.4945    1.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7896    2.9784    2.2334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9024    1.3124    1.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7446    0.7372    0.6674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7059   -0.4279   -0.1462 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5409   -0.7981   -0.9266 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4091   -0.9835   -0.1708 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3250   -0.6000   -0.9630 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0868   -0.3921   -0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7784   -1.5683    0.5155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4212   -1.4808    1.4849 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.8335   -0.9388    2.8325 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3011   -2.9987    1.7086 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7436   -0.4207    0.8541 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379   -0.4813    1.7801 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.1953    0.7650    2.6244 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0659   -1.8360    2.8060 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5332   -0.6071    0.8691 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3416   -1.3815   -0.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6136   -1.4806   -1.0715 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0906   -0.2630   -1.5037 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4544   -0.3141   -1.5667 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9886    0.7556   -0.7275 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3178    1.6078    0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1568    2.4500    0.6797 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4062    2.1601    0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6599    2.6612    0.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8155    3.7454    1.4643 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7503    2.1258   -0.0068 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6483    1.0838   -0.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4178    0.6198   -1.1213 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2958    1.1003   -0.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9388   -1.6172   -1.0310 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1744   -2.4831   -2.1088 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7281   -2.1326   -0.2812 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6506   -3.5213   -0.3295 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8412    0.7124   -1.5405 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1089    1.1185   -2.6424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2654    0.3317   -1.8962 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2283   -0.1368   -3.2242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9235   -1.2500   -0.1563 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.0637   -1.9707    1.0096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0991   -0.3349   -0.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2066    0.7534    0.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9617    2.5776    2.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1873    4.1610    2.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7821    1.1631    0.9883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8143   -1.6953   -1.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1733   -1.2834   -1.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2542    0.4071    0.6147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690   -0.0977   -0.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3055   -3.5320    0.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8641   -1.5696    3.7228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5243   -0.9962   -0.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0526   -2.4124    0.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4134   -2.0971   -1.9737 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7982   -0.1585   -2.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2505    1.6173    0.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4725    4.7020    1.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2695    3.6548    2.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5154    0.6504   -1.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8298   -1.5294   -0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6097   -2.2560   -2.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7583   -1.7512    0.7584 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1576   -3.8292   -1.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8229    1.5260   -0.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6679    1.9922   -2.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9777    1.1542   -1.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2504    0.6397   -3.8158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9034   -1.9727   -1.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1865   -2.3016    1.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0188   -0.9804   -0.2799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1234    0.0143   -1.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8405    1.5678    0.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7770    0.4353    1.5246 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  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 23 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
  9 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
  6 42  1  0
 42 43  1  0
 42 44  1  0
 44 45  1  0
 45  4  1  0
 40  7  1  0
 36 21  1  0
 33 24  1  0
 33 27  1  0
  1 46  1  0
  1 47  1  0
  5 48  1  0
  7 49  1  6
  9 50  1  6
 10 51  1  0
 10 52  1  0
 14 53  1  0
 18 54  1  0
 20 55  1  0
 20 56  1  0
 21 57  1  6
 23 58  1  6
 25 59  1  0
 29 60  1  0
 29 61  1  0
 31 62  1  0
 34 63  1  1
 35 64  1  0
 36 65  1  1
 37 66  1  0
 38 67  1  1
 39 68  1  0
 40 69  1  6
 41 70  1  0
 42 71  1  6
 43 72  1  0
 44 73  1  0
 44 74  1  0
 45 75  1  0
 45 76  1  0
M  END

Synonyms

Value	Source
(6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide	ChEBI
6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide	ChEBI
BETA-6-HYDROXY-1,4,5,6-tetrhydronicotinamide adenine dinucleotide	ChEBI
(6S)-6b-Hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide	Generator
(6S)-6β-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide	Generator
6b-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide	Generator
6β-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide	Generator
b-6-HYDROXY-1,4,5,6-tetrhydronicotinamide adenine dinucleotide	Generator
β-6-hydroxy-1,4,5,6-tetrhydronicotinamide adenine dinucleotide	Generator
(S)-NADH-hydrate	KEGG
(S)-NADHX	KEGG
(6S)-6-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide	KEGG
(S)-NADH-hydric acid	Generator
(6S)-6b-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide	Generator
(6S)-6Β-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide	Generator
(6S)-6-b-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide	Generator
(6S)-6-Β-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide	Generator
Monohydroxytetrahydronicotinamide adenine dinucleotide	HMDB
NADHX	HMDB

Molecular Formula

C₂₁H₃₁N₇O₁₅P₂

Average Mass

683.4563

Monoisotopic Mass

683.135336381

IUPAC Name

[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5R)-5-[(2S)-5-carbamoyl-2-hydroxy-1,2,3,4-tetrahydropyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid

Traditional Name

(S)-nadhx

CAS Registry Number

Not Available

SMILES

[H][C@]1(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=C(CC[C@]3([H])O)C(O)=N)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O

InChI Identifier

InChI=1S/C21H31N7O15P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(33)14(31)10(42-21)5-40-45(37,38)43-44(35,36)39-4-9-13(30)15(32)20(41-9)27-3-8(18(23)34)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-33H,1-2,4-5H2,(H2,23,34)(H,35,36)(H,37,38)(H2,22,24,25)/t9-,10-,11+,13-,14-,15-,16-,20-,21-/m1/s1

InChI Key

IDBZKGQRLBFUFQ-VPHRTNKSSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as purine nucleotide sugars. These are purine nucleotides bound to a saccharide derivative through the terminal phosphate group.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine nucleotide sugars

Direct Parent

Purine nucleotide sugars

Alternative Parents

Substituents

Purine nucleotide sugar
Purine ribonucleoside diphosphate
Purine ribonucleoside monophosphate
Nicotinamide-nucleotide
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
6-aminopurine
Monosaccharide phosphate
Organic pyrophosphate
Imidazopyrimidine
Purine
Aminopyrimidine
Monoalkyl phosphate
Tetrahydropyridine
Imidolactam
Alkyl phosphate
Hydropyridine
Pyrimidine
Monosaccharide
N-substituted imidazole
Organic phosphoric acid derivative
Phosphoric acid ester
Azole
Vinylogous amide
Tetrahydrofuran
Imidazole
Heteroaromatic compound
Primary carboxylic acid amide
Carboxamide group
Secondary alcohol
Amino acid or derivatives
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Azacycle
Alkanolamine
Organonitrogen compound
Organooxygen compound
Organic nitrogen compound
Carbonyl group
Organic oxygen compound
Organopnictogen compound
Alcohol
Primary amine
Amine
Organic oxide
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

hemiaminal (CHEBI:44236 )
tetrahydronicotinamide adenine dinucleotide (CHEBI:44236 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	6.26 g/L	ALOGPS
logP	-1.9	ALOGPS
logP	-6.5	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	1.85	ChemAxon
pKa (Strongest Basic)	4.01	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	337.85 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	144.05 m³·mol⁻¹	ChemAxon
Polarizability	58.68 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-017m-1211913000-25814eadfd52e71a50a2	2017-09-20	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-0920104000-1528abc2c0a942f49031	2015-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-0900000000-d2229364feb237809db1	2015-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-1900000000-c059fcd5287ebb902662	2015-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-0900316000-b56bcca46a39880ba531	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-1900100000-fd7ebe873ef8a790e710	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a7l-3900000000-e65fb28b52244d9bf64b	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00lu-0700009000-84c79a506933cd12dcfe	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00lr-0613159000-d52e45cdb114fde72b48	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-0922100000-1592b6a3cfff1659a174	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03e9-0000009000-4a10771d72bd52ae30c5	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-057i-6000069000-2683c91f3d01d3ae1e5c	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0bvi-6915704000-3bb96fcd514c7f9b7fa8	2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-24	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	575.7
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	330.9
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	298.9
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	455.7
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	353.5
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	211.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	812.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	325.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	694.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	159.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	215.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	175.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	70.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	555.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	507.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	88.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	280.4
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	1350.2
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	719.3

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_1	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2855.09
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_2	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2085.06
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_3	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]1N1C=C(C(=N)O)CC[C@@H]1O	standard non polar	2025-10-24	2787.83
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard non polar	2025-10-24	1749.56
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_5	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard non polar	2025-10-24	2098.27
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	1477.08
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_7	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1995.76
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_8	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@H](O)[C@@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1792.09
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2521.19
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_10	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1778.59
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_11	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	1752.14
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_12	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	225.708
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_13	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	3093.79
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_14	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2447.58
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_15	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1340.42
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_16	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1768.39
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_17	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2408.4
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_18	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2444.95
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_19	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	1027.22
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_20	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1310.99
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_21	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1847.21
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_22	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1388.55
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_23	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard non polar	2025-10-24	2759.41
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_24	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2093.24
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_25	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1883.82
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_26	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O[Si](C)(C)C)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	3051.88
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_27	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2495.26
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_28	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3240.3
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_29	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]1N1C=C(C(=N)O)CC[C@@H]1O	standard non polar	2025-10-24	2263.69
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_30	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	2686.82
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_31	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]1N1C=C(C(=N)O)CC[C@@H]1O	standard non polar	2025-10-24	1272.54
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_32	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1N1C=C(C(=N)O)CC[C@@H]1O	standard non polar	2025-10-24	1447.76
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_33	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	858.247
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_34	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard non polar	2025-10-24	1621.15
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_35	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard non polar	2025-10-24	2058.9
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_36	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard non polar	2025-10-24	2646.38
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_37	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard non polar	2025-10-24	2600.42
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_38	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard non polar	2025-10-24	2441.99
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_39	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1891.15
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_40	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	570.198
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_41	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2437.55
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_42	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard non polar	2025-10-24	653.377
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_43	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard non polar	2025-10-24	2558.57
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_44	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1637.84
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_45	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1329.17
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_46	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	2637.17
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_47	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	1203.3
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_48	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1502.94
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_49	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2579.8
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_50	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@H](O)[C@@H]1O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	648.346
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_51	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1247.88
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_52	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2345.08
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_53	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1162.56
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_54	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1424.8
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_55	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O)[Si](C)(C)C	standard non polar	2025-10-24	2811.91
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_56	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1223.63
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_57	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	2684.13
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_58	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	1600.87
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_59	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	4097.87
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_60	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	2446.45
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_61	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	1765.9
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_62	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	893.683
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_63	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O[Si](C)(C)C)CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1244.23
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_64	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	903.262
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_65	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1882.45
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_66	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1029.56
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_67	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3439.16
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_68	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2490.5
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_69	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2273.6
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_70	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1613.36
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_71	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	1246.47
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_72	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	2168.2
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_73	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1890.3
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_74	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	1408.85
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_75	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	1823.39
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_76	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1249.9
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_77	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	1747.09
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_78	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1940.18
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_79	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1513.24
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_80	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2138.72
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_81	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2614.73
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_82	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	1913.39
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_83	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1274.59
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_84	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3184.69
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_85	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1753.17
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_86	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	2408.66
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_87	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2639.29
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_88	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1586.7
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_89	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	1333.08
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_90	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2357.48
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_91	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	1374.1
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_92	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2341.54
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_93	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	2438.7
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_94	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2406.26
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_95	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1970.25
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_96	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard non polar	2025-10-24	1136.72
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_97	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	3778.86
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_98	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2828.39
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_99	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O[Si](C)(C)C)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3190.4
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_100	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2689.48
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_101	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2949.12
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_102	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard non polar	2025-10-24	2605.16
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_103	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1976.15
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_104	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	971.777
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_105	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O[Si](C)(C)C)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1729.3
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_106	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2866.53
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_107	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard non polar	2025-10-24	1957.01
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_108	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1729.21
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_109	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	3068.0
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_110	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O[Si](C)(C)C)CC[C@@H]3O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2536.27
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_111	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2605.11
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_112	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard non polar	2025-10-24	2559.21
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_113	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard non polar	2025-10-24	2324.19
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_114	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O[Si](C)(C)C)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2142.22
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_115	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard non polar	2025-10-24	426.832
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_116	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2574.85
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_117	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O[Si](C)(C)C)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2010.14
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_118	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2078.18
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_119	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O[Si](C)(C)C)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2711.43
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_120	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1746.75
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_121	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1189.39
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_122	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	-345.368
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_123	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2583.23
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_124	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	1993.81
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_125	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1610.85
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_126	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1701.59
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_127	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1439.99
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_128	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard non polar	2025-10-24	3191.39
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_129	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2455.33
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_130	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]1N1C=C(C(=N)O)CC[C@@H]1O	standard non polar	2025-10-24	1693.41
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_131	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@H]1N1C=C(C(=N)O)CC[C@@H]1O	standard non polar	2025-10-24	1415.64
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_132	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2680.15
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_133	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard non polar	2025-10-24	2455.63
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_134	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	1397.53
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_135	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	1774.17
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_136	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	4464.63
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_137	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard non polar	2025-10-24	1868.91
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_138	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1N1C=C(C(=N)O)CC[C@@H]1O	standard non polar	2025-10-24	1044.37
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_139	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2142.99
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_140	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard non polar	2025-10-24	2250.66
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_141	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	3109.01
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_142	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard non polar	2025-10-24	2021.72
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_143	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]1N1C=C(C(=N)O)CC[C@@H]1O	standard non polar	2025-10-24	2984.9
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_144	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard non polar	2025-10-24	1750.68
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_145	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard non polar	2025-10-24	2113.98
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_146	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard non polar	2025-10-24	990.186
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_147	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard non polar	2025-10-24	2305.91
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_148	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1200.63
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_149	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2028.59
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_150	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard non polar	2025-10-24	2870.09
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_151	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard non polar	2025-10-24	2720.15
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_152	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	894.061
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_153	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	983.017
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_154	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard non polar	2025-10-24	1300.26
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_155	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2346.59
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_156	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	736.741
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_157	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1886.44
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_158	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	3172.46
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_159	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard non polar	2025-10-24	2455.61
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_160	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1803.41
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_161	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2495.27
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_162	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2340.55
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_163	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3707.31
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_164	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2177.94
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_165	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard non polar	2025-10-24	1469.25
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_166	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2889.83
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_167	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2144.78
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_168	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1967.79
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_169	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1078.04
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_170	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	standard non polar	2025-10-24	2699.48
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_171	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1002.4
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_172	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	2502.46
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_173	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1216.47
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_174	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1496.87
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_175	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2670.99
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_176	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	3015.47
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_177	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	1140.75
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_178	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1804.08
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_179	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2846.31
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_180	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2822.87
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_181	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	2728.61
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_182	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	913.194
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_183	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@H](O)[C@@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1907.53
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_184	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	3314.88
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_185	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2695.99
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_1	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2395.47
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_2	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	2380.51
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_3	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]1N1C=C(C(=N)O)CC[C@@H]1O	standard polar	2025-10-24	2043.46
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard polar	2025-10-24	1982.51
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_5	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard polar	2025-10-24	1948.34
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	3230.61
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_7	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	1512.64
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_8	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@H](O)[C@@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	standard polar	2025-10-24	431.34
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2411.64
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_10	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	2254.32
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_11	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	1467.6
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_12	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2370.65
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_13	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	1989.89
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_14	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2497.85
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_15	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2181.19
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_16	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2149.28
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_17	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2023.06
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_18	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2515.34
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_19	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	1566.42
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_20	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1222.52
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_21	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1259.84
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_22	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	2689.77
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_23	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard polar	2025-10-24	2318.58
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_24	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1409.6
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_25	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1977.45
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_26	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O[Si](C)(C)C)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1046.89
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_27	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1762.39
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_28	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	390.816
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_29	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]1N1C=C(C(=N)O)CC[C@@H]1O	standard polar	2025-10-24	1111.56
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_30	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	1192.83
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_31	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]1N1C=C(C(=N)O)CC[C@@H]1O	standard polar	2025-10-24	2629.5
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_32	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1N1C=C(C(=N)O)CC[C@@H]1O	standard polar	2025-10-24	1357.99
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_33	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	3020.54
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_34	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard polar	2025-10-24	1404.79
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_35	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard polar	2025-10-24	3001.06
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_36	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard polar	2025-10-24	1730.73
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_37	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard polar	2025-10-24	3062.77
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_38	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard polar	2025-10-24	4336.83
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_39	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2260.02
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_40	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1672.2
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_41	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1826.48
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_42	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard polar	2025-10-24	3632.62
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_43	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard polar	2025-10-24	3528.57
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_44	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2109.97
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_45	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	2269.7
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_46	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	3081.03
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_47	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	2863.55
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_48	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2222.65
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_49	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1456.21
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_50	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@H](O)[C@@H]1O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	2376.9
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_51	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1540.59
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_52	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	3082.57
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_53	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1984.35
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_54	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	3595.64
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_55	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O)[Si](C)(C)C	standard polar	2025-10-24	3105.62
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_56	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	2011.76
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_57	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	2538.79
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_58	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	2050.01
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_59	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	2094.57
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_60	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	2065.06
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_61	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	3138.11
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_62	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	1858.72
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_63	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O[Si](C)(C)C)CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1946.14
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_64	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	3290.34
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_65	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2071.08
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_66	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1530.67
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_67	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	3420.67
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_68	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	824.217
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_69	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1926.94
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_70	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1731.18
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_71	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	2371.65
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_72	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	4247.03
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_73	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1203.04
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_74	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	2257.35
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_75	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	2022.7
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_76	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2432.06
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_77	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	452.241
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_78	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1648.13
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_79	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	3592.96
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_80	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1301.48
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_81	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1939.1
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_82	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	1526.98
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_83	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1695.62
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_84	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2606.72
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_85	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	3026.55
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_86	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	1372.35
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_87	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	878.936
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_88	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	3289.77
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_89	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	2586.4
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_90	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2731.48
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_91	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	2217.69
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_92	C[Si](C)(C)O[C@H]1CCC(C(=N)O)=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	3146.07
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_93	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	2112.82
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_94	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1636.85
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_95	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1918.22
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_96	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard polar	2025-10-24	3791.71
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_97	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	2068.52
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_98	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	2072.91
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_99	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O[Si](C)(C)C)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2331.99
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_100	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	2459.51
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_101	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	2815.69
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_102	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard polar	2025-10-24	2389.38
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_103	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	2033.39
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_104	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	2209.26
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_105	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O[Si](C)(C)C)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2568.52
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_106	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	963.47
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_107	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard polar	2025-10-24	1196.24
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_108	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	2146.57
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_109	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	2393.37
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_110	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O[Si](C)(C)C)CC[C@@H]3O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2740.24
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_111	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	2190.65
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_112	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard polar	2025-10-24	2260.63
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_113	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard polar	2025-10-24	1792.75
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_114	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O[Si](C)(C)C)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2712.64
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_115	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard polar	2025-10-24	964.743
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_116	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1074.87
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_117	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O[Si](C)(C)C)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1880.04
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_118	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	564.099
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_119	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O[Si](C)(C)C)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2533.66
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_120	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1786.81
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_121	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1801.93
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_122	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1532.21
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_123	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3454.34
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_124	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	1546.66
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_125	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2188.57
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_126	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2302.71
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_127	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2278.48
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_128	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard polar	2025-10-24	1929.21
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_129	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3258.87
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_130	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]1N1C=C(C(=N)O)CC[C@@H]1O	standard polar	2025-10-24	331.334
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_131	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@H]1N1C=C(C(=N)O)CC[C@@H]1O	standard polar	2025-10-24	1767.77
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_132	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	3064.64
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_133	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard polar	2025-10-24	1778.07
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_134	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	2450.71
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_135	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	1890.95
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_136	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1636.69
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_137	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard polar	2025-10-24	1986.92
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_138	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1N1C=C(C(=N)O)CC[C@@H]1O	standard polar	2025-10-24	1723.75
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_139	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	519.967
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_140	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard polar	2025-10-24	797.421
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_141	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1761.66
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_142	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard polar	2025-10-24	2535.75
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_143	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]1N1C=C(C(=N)O)CC[C@@H]1O	standard polar	2025-10-24	2087.81
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_144	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard polar	2025-10-24	30.4312
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_145	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard polar	2025-10-24	2002.74
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_146	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard polar	2025-10-24	2827.27
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_147	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard polar	2025-10-24	1703.59
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_148	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1799.62
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_149	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1750.85
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_150	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard polar	2025-10-24	2362.19
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_151	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard polar	2025-10-24	451.114
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_152	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	3472.41
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_153	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1499.31
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_154	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard polar	2025-10-24	1367.6
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_155	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2305.26
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_156	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	3045.53
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_157	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	704.551
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_158	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	3763.19
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_159	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@@H]1O	standard polar	2025-10-24	2411.98
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_160	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	2075.65
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_161	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1501.67
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_162	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3166.9
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_163	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2061.8
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_164	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	77.7608
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_165	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard polar	2025-10-24	1976.62
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_166	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	3720.99
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_167	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	3614.05
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_168	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1020.15
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_169	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1069.0
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_170	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	standard polar	2025-10-24	2195.3
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_171	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	4649.38
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_172	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	2030.79
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_173	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2415.66
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_174	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1397.28
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_175	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1880.43
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_176	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	3543.38
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_177	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	2740.46
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_178	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	972.139
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_179	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C(=N)O)CC[C@@H]3O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	3312.94
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_180	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	2326.85
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_181	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	1121.54
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_182	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1775.97
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_183	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=C(C(=N)O)CC[C@@H]2O)[C@H](O)[C@@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2596.14
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_184	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	2977.66
Gas Chromatography	(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide_TMS_185	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1462.85

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

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

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

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

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria/Eubacteria	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal	Unknown

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

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

External Links

HMDB ID

HMDB0059644

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB030173

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C04856

BioCyc ID

CPD-653

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

440516

PDB ID

NAX

ChEBI ID

44236

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Sajed T, Marcu A, Ramirez M, Pon A, Guo AC, Knox C, Wilson M, Grant JR, Djoumbou Y, Wishart DS: ECMDB 2.0: A richer resource for understanding the biochemistry of E. coli. Nucleic Acids Res. 2016 Jan 4;44(D1):D495-501. doi: 10.1093/nar/gkv1060. Epub 2015 Oct 19. [PubMed:26481353 ]

Showing metabocard for (6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide (MMDBc0031785)

MOL for #<Metabolite:0x00007f9a9ea3dc58>

3D MOL for #<Metabolite:0x00007f9a9ea3dc58>

3D SDF for #<Metabolite:0x00007f9a9ea3dc58>

3D-SDF for #<Metabolite:0x00007f9a9ea3dc58>

PDB for #<Metabolite:0x00007f9a9ea3dc58>

3D PDB for #<Metabolite:0x00007f9a9ea3dc58>

SMILES for #<Metabolite:0x00007f9a9ea3dc58>

INCHI for #<Metabolite:0x00007f9a9ea3dc58>

Structure for #<Metabolite:0x00007f9a9ea3dc58>

3D Structure for #<Metabolite:0x00007f9a9ea3dc58>