MassBank Record: KO001145



 beta-Hydroxypropionic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001145
RECORD_TITLE: beta-Hydroxypropionic acid; LC-ESI-QQ; MS2; CE:10 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 89 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-9000000000-d440d21b0f161a9853f1 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 43.100 198020.0 2 45.100 54455.5 1 57.100 34653.5 1 59.100 6717828.5 78 61.100 24752.5 1 71.100 103960.5 1 74.200 24752.5 1 87.000 183168.5 2 89.000 86460482.5 999 //