MassBank Record: KO001096



 3-(4-Hydroxyphenyl)propionic 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: KO001096
RECORD_TITLE: 3-(4-Hydroxyphenyl)propionic 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 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 165 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-0900000000-514be816ed648e5588b7 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 34.900 79208.0 3 58.900 306931.0 13 73.200 84158.5 3 83.100 54455.5 2 92.900 89109.0 4 97.200 44554.5 2 99.000 54455.5 2 101.100 29703.0 1 111.400 24752.5 1 121.200 480198.5 20 165.100 24029727.0 999 183.000 29703.0 1 //