Mol:BMXXSX--n017

 
 
Copyright: ARM project http://www.metabolome.jp/ 
  5  4  0  0  0  0  0  0  0  0999 V2000 
    3.7321    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  1  0  0  0  0 
  3  5  2  0  0  0  0 
  3  4  1  0  0  0  0 
  1  3  1  0  0  0  0 
S  SKP  7 
ID	BMXXSX--n017 
NAME	Nitroethane 
FORMULA	C2H5NO2 
EXACTMASS	75.032 
AVERAGEMASS	75.0666 
SMILES	CC[N+1]([O-1])=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01837 
M  END