MassBank Record: KO001098



 3-(4-Hydroxyphenyl)propionic 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: KO001098
RECORD_TITLE: 3-(4-Hydroxyphenyl)propionic 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 165 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9500000000-49bd07916272cdc49e68 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 35.200 59406.0 129 59.100 460396.5 999 73.000 44554.5 97 75.200 118812.0 258 92.200 59406.0 129 92.900 138614.0 301 119.000 99010.0 215 120.900 69307.0 150 148.800 183168.5 397 150.100 143564.5 312 165.100 49505.0 107 //