MassBank Record: KO001099



 3-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001099
RECORD_TITLE: 3-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:40 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 H066

CH$NAME: 3-(4-Hydroxyphenyl)propionate CH$NAME: Phloretic acid CH$NAME: Phloretate CH$NAME: 3-(4-Hydroxyphenyl)propionic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10O3 CH$EXACT_MASS: 166.06299 CH$SMILES: OC(=O)CCc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12) CH$LINK: CAS 501-97-3 CH$LINK: CHEBI 32980 CH$LINK: CHEMPDB HPP CH$LINK: KEGG C01744 CH$LINK: NIKKAJI J1.565B CH$LINK: PUBCHEM SID:4878
AC$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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 165 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a6u-9100000000-683b03c9384a9a750863 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 34.800 34653.5 171 58.800 202970.5 999 73.200 19802.0 97 75.100 183168.5 902 78.700 14851.5 73 92.200 44554.5 219 93.300 64356.5 317 120.000 19802.0 97 135.400 14851.5 73 148.900 39604.0 195 //