Mol:BMMCBZ2On016

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 10 10  0  0  0  0  0  0  0  0999 V2000 
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  4  3  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  1  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  3  0  0  0  0 
  2 10  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ2On016 
NAME	2-Methyl-benzene-acetonitrile 
FORMULA	C9H9N 
EXACTMASS	131.0734 
AVERAGEMASS	131.1745 
SMILES	N#CCc(c1)c(C)ccc1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02596 
M  END