MassBank Record: KO001146



 beta-Hydroxypropionic 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: KO001146
RECORD_TITLE: beta-Hydroxypropionic 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 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 89 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4r-9000000000-dba7e70fabc7dac6fe4b PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 40.900 44554.5 8 43.300 1202971.5 219 44.900 282178.5 51 59.200 5500005.5 999 71.000 123762.5 22 87.100 108911.0 20 89.100 4103964.5 745 //