Mol:BMXXBX--n005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
  5  4  0  0  0  0  0  0  0  0999 V2000 
    4.3208   -1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6713   -1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3208   -2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9713   -1.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6218   -1.1367    0.0000 N   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 
  4  5  3  0  0  0  0 
S  SKP  7 
ID	BMXXBX--n005 
NAME	Isobutyro-nitrile 
FORMULA	C4H7N 
EXACTMASS	69.0578 
AVERAGEMASS	69.1051 
SMILES	N#CC(C)C 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02420 
M  END