Mol:BMFYB2HOb001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
8 7 0 0 1 0 0 0 0 0999 V2000
3.7321 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.9330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 -0.5670 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
2.3660 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 1 1 0 0 0 0
1 2 1 0 0 0 0
3 4 1 0 0 0 0
3 6 1 0 0 0 0
3 5 1 0 0 0 0
2 8 1 0 0 0 0
2 7 1 4 0 0 0
S SKP 7
ID BMFYB2HOb001
NAME 2-Methyl-choline
FORMULA C6H16NO
EXACTMASS 118.1231
AVERAGEMASS 118.1973
SMILES CC(O)C[N+1](C)(C)C
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02224
M END
