MassBank Record: KO001587



 Propionic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001587
RECORD_TITLE: Propionic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P024

CH$NAME: Propionate CH$NAME: Propanoic acid CH$NAME: Propionic acid CH$NAME: Propanoate CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H6O2 CH$EXACT_MASS: 74.03678 CH$SMILES: CCC(O)=O CH$IUPAC: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) CH$LINK: CAS 79-09-4 CH$LINK: CHEBI 30768 CH$LINK: CHEMPDB PPI CH$LINK: KEGG C00163 CH$LINK: NIKKAJI J1.963A CH$LINK: PUBCHEM SID:3463
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 73 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-9000000000-e73379c8765802cf3228 PK$NUM_PEAK: 1 PK$PEAK: m/z int. rel.int. 73.100 4891094.0 999 //