Mol:PR100396
From Metabolomics.JP
(Difference between revisions)
| Line 2: | Line 2: | ||
| − | 14 13 0 0 1 0 0 0 0 0999 V2000 | + | 14 13 0 0 1 0 0 0 0 0999 V2000 |
| − | 19.5379 -16.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.5379 -16.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 18.3261 -15.8739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 18.3261 -15.8739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 20.7497 -15.8739 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 | + | 20.7497 -15.8739 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 |
| − | 17.1142 -16.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.1142 -16.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 18.3261 -14.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.3261 -14.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 22.0315 -16.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 22.0315 -16.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 22.4988 -15.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 22.4988 -15.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 20.6867 -17.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.6867 -17.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 15.8967 -15.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.8967 -15.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 19.5379 -13.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.5379 -13.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.6848 -16.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.6848 -16.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 15.8967 -14.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.8967 -14.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 20.7497 -14.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.7497 -14.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 19.5379 -12.3732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.5379 -12.3732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 | + | 1 2 1 0 0 0 |
| − | 1 3 1 0 0 0 | + | 1 3 1 0 0 0 |
| − | 2 4 1 0 0 0 | + | 2 4 1 0 0 0 |
| − | 2 5 1 1 0 0 | + | 2 5 1 1 0 0 |
| − | 3 6 1 0 0 0 | + | 3 6 1 0 0 0 |
| − | 3 7 1 0 0 0 | + | 3 7 1 0 0 0 |
| − | 3 8 1 0 0 0 | + | 3 8 1 0 0 0 |
| − | 4 9 1 0 0 0 | + | 4 9 1 0 0 0 |
| − | 5 10 1 0 0 0 | + | 5 10 1 0 0 0 |
| − | 9 11 1 0 0 0 | + | 9 11 1 0 0 0 |
| − | 9 12 2 0 0 0 | + | 9 12 2 0 0 0 |
| − | 10 13 1 0 0 0 | + | 10 13 1 0 0 0 |
| − | 10 14 2 0 0 0 | + | 10 14 2 0 0 0 |
| − | M CHG 1 3 1 | + | M CHG 1 3 1 |
| − | S SKP | + | S SKP 7 |
| − | CAS_RN 14992-62-2 | + | CAS_RN 14992-62-2 |
| − | NAME O-Acetyl-L-carnitine | + | NAME O-Acetyl-L-carnitine |
| + | ID PR100396 | ||
| + | FORMULA C9H18NO4 | ||
| + | EXACTMASS 204.123583069 | ||
| + | AVERAGEMASS 204.24356 | ||
| + | SMILES CC(=O)O[C@H](CC(O)=O)C[N+1](C)(C)C | ||
M END | M END | ||
Latest revision as of 16:44, 14 January 2011
14 13 0 0 1 0 0 0 0 0999 V2000 19.5379 -16.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3261 -15.8739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7497 -15.8739 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 17.1142 -16.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3261 -14.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0315 -16.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4988 -15.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6867 -17.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8967 -15.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5379 -13.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6848 -16.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8967 -14.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7497 -14.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5379 -12.3732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 2 5 1 1 0 0 3 6 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 4 9 1 0 0 0 5 10 1 0 0 0 9 11 1 0 0 0 9 12 2 0 0 0 10 13 1 0 0 0 10 14 2 0 0 0 M CHG 1 3 1 S SKP 7 CAS_RN 14992-62-2 NAME O-Acetyl-L-carnitine ID PR100396 FORMULA C9H18NO4 EXACTMASS 204.123583069 AVERAGEMASS 204.24356 SMILES CC(=O)O[C@H](CC(O)=O)C[N+1](C)(C)C M END
