MassBank Record: KO001147



 beta-Hydroxypropionic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001147
RECORD_TITLE: beta-Hydroxypropionic acid; LC-ESI-QQ; MS2; CE:30 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 H110

CH$NAME: b-Hydroxypropionate CH$NAME: 3-Hydroxypropanoic acid CH$NAME: 3-Hydroxypropionic acid CH$NAME: 3-Hydroxypropionate CH$NAME: Hydracrylic acid CH$NAME: 3-Hydroxypropanoate CH$NAME: beta-Hydroxypropionic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H6O3 CH$EXACT_MASS: 90.03169 CH$SMILES: OCCC(O)=O CH$IUPAC: InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6) CH$LINK: CAS 503-66-2 CH$LINK: CHEBI 16510 CH$LINK: KEGG C01013 CH$LINK: NIKKAJI J6.213H CH$LINK: PUBCHEM SID:4258
AC$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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 89 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-052f-9000000000-a9bac0e4116df119abb1 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 41.100 292079.5 648 43.200 450495.5 999 59.300 450495.5 999 72.900 9901.0 22 89.000 69307.0 154 //