維生素 B12(68-19-9)質(zhì)譜(MS)
分子式:C63H88CoN14O14P
分子量: 1355.37
InChI:
InChIKey: RMRCNWBMXRMIRW-WZHZPDAFSA-L
Smiles:[C@]12(C)[C@@](C)(CC(=O)N)[C@H](CCC(=O)N)C(N1[Co+]C#N)=C(C)C1[C@@](C)(CC(=O)N)[C@@H](C(N=1)=CC1=NC([C@@H](CCC(=O)N)C1(C)C)=C(C)C1=N[C@]2([H])[C@H](CC(=O)N)[C@@]1(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@H]1[C@@H](O)[C@@H](N2C=NC3C=C(C(C)=CC2=3)C)O[C@@H]1CO)CCC(=O)N |c:19,t:32,46|
IN ETHER/METHANOL, 77K
1, V/V)