MassBank Record: KO001097



 3-(4-Hydroxyphenyl)propionic 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: KO001097
RECORD_TITLE: 3-(4-Hydroxyphenyl)propionic 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 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 165 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-3900000000-5c5920f4693d31baa640 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 34.900 79208.0 30 44.700 19802.0 8 58.800 707921.5 272 72.800 74257.5 29 78.900 14851.5 6 93.100 910892.0 350 96.900 49505.0 19 98.900 89109.0 34 119.000 123762.5 48 121.200 1183169.5 455 148.900 410891.5 158 150.200 158416.0 61 165.300 2599012.5 999 //