Mol:LBF08105SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
10 9 0 0 0 0 0 0 0 0999 V2000
1.0814 -0.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6947 -0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4097 -0.5335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6947 0.7054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5589 -0.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2661 -0.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7886 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2561 -0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8391 -0.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4097 -0.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 4 2 0 0 0 0
1 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
S SKP 5
ID LBF08105SC01
FORMULA C8H14O2
EXACTMASS 142.09937969199999
AVERAGEMASS 142.19556
SMILES CCCCC=CCC(O)=O
M END
