Mol:PR100313
From Metabolomics.JP
(Difference between revisions)
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− | ACD/Labs08070914522D | + | ACD/Labs08070914522D |
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− | 16 15 0 0 1 0 0 0 0 0 2 V2000 | + | 16 15 0 0 1 0 0 0 0 0 2 V2000 |
− | 19.0279 -7.1211 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.0279 -7.1211 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 19.0141 -6.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.0141 -6.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 19.0314 -7.9453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.0314 -7.9453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 17.8170 -7.1177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.8170 -7.1177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 20.2320 -7.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.2320 -7.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 19.4210 -5.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.4210 -5.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 19.7279 -8.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.7279 -8.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 19.0107 -4.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.0107 -4.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 19.7314 -9.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.7314 -9.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 19.4176 -4.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.4176 -4.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 18.1969 -4.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.1969 -4.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 20.4348 -9.5901 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 | + | 20.4348 -9.5901 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 |
− | 19.0038 -3.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.0038 -3.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 21.4799 -10.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 21.4799 -10.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 21.6922 -8.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 21.6922 -8.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 19.3691 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.3691 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
− | 1 4 1 0 0 0 0 | + | 1 4 1 0 0 0 0 |
− | 1 5 2 0 0 0 0 | + | 1 5 2 0 0 0 0 |
− | 2 6 1 0 0 0 0 | + | 2 6 1 0 0 0 0 |
− | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
− | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
− | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
− | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
− | 8 11 1 6 0 0 0 | + | 8 11 1 6 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
− | 10 13 1 0 0 0 0 | + | 10 13 1 0 0 0 0 |
− | 12 14 1 0 0 0 0 | + | 12 14 1 0 0 0 0 |
− | 12 15 1 0 0 0 0 | + | 12 15 1 0 0 0 0 |
− | 12 16 1 0 0 0 0 | + | 12 16 1 0 0 0 0 |
− | M CHG 1 12 1 | + | M CHG 1 12 1 |
− | S SKP | + | S SKP 7 |
− | CAS_RN 563-24-6 | + | CAS_RN 563-24-6 |
− | NAME sn-Glycero-3-phosphocholine | + | NAME sn-Glycero-3-phosphocholine |
+ | ID PR100313 | ||
+ | FORMULA C8H21NO6P | ||
+ | EXACTMASS 258.11064891899997 | ||
+ | AVERAGEMASS 258.229241 | ||
+ | SMILES OCC(O)COP(O)(=O)OCC[N+1](C)(C)C | ||
M END | M END |
Latest revision as of 16:44, 14 January 2011
ACD/Labs08070914522D 16 15 0 0 1 0 0 0 0 0 2 V2000 19.0279 -7.1211 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.0141 -6.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0314 -7.9453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8170 -7.1177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2320 -7.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4210 -5.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7279 -8.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0107 -4.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7314 -9.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4176 -4.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1969 -4.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4348 -9.5901 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 19.0038 -3.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4799 -10.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6922 -8.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3691 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 6 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 M CHG 1 12 1 S SKP 7 CAS_RN 563-24-6 NAME sn-Glycero-3-phosphocholine ID PR100313 FORMULA C8H21NO6P EXACTMASS 258.11064891899997 AVERAGEMASS 258.229241 SMILES OCC(O)COP(O)(=O)OCC[N+1](C)(C)C M END