Mol:PR100407
From Metabolomics.JP
(Difference between revisions)
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− | ACD/Labs08070914102D | + | ACD/Labs08070914102D |
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− | 11 10 0 0 0 0 0 0 0 0 2 V2000 | + | 11 10 0 0 0 0 0 0 0 0 2 V2000 |
− | 19.2442 -4.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.2442 -4.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 17.8567 -5.6328 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 | + | 17.8567 -5.6328 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 |
− | 20.2763 -5.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.2763 -5.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 16.3661 -4.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.3661 -4.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 17.8567 -7.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.8567 -7.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 16.3661 -6.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.3661 -6.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 21.3026 -4.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 21.3026 -4.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 22.4779 -4.8188 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 22.4779 -4.8188 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 23.6647 -4.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 23.6647 -4.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 22.4779 -3.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 22.4779 -3.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 22.4779 -6.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 22.4779 -6.0741 0.0000 O 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 |
− | 2 4 1 0 0 0 0 | + | 2 4 1 0 0 0 0 |
− | 2 5 1 0 0 0 0 | + | 2 5 1 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 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
− | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
− | M CHG 1 2 1 | + | M CHG 1 2 1 |
− | S SKP | + | S SKP 7 |
− | CAS_RN 3616-04-4 | + | CAS_RN 3616-04-4 |
− | NAME O-Phosphocholine | + | NAME O-Phosphocholine |
+ | ID PR100407 | ||
+ | FORMULA C5H15NO4P | ||
+ | EXACTMASS 184.07386948299998 | ||
+ | AVERAGEMASS 184.150701 | ||
+ | SMILES C[N+1](C)(C)CCOP(O)(O)=O | ||
M END | M END |
Latest revision as of 16:44, 14 January 2011
ACD/Labs08070914102D 11 10 0 0 0 0 0 0 0 0 2 V2000 19.2442 -4.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8567 -5.6328 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 20.2763 -5.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3661 -4.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8567 -7.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3661 -6.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3026 -4.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4779 -4.8188 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 23.6647 -4.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4779 -3.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4779 -6.0741 0.0000 O 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 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 M CHG 1 2 1 S SKP 7 CAS_RN 3616-04-4 NAME O-Phosphocholine ID PR100407 FORMULA C5H15NO4P EXACTMASS 184.07386948299998 AVERAGEMASS 184.150701 SMILES C[N+1](C)(C)CCOP(O)(O)=O M END