MassBank Record: KO001140



 2-(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: KO001140
RECORD_TITLE: 2-(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 H099

CH$NAME: 2-(4-Hydroxyphenyl)propionate CH$NAME: 4-Hydroxyhydratropate CH$NAME: 2-(4-Hydroxyphenyl)propionic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10O3 CH$EXACT_MASS: 166.06299 CH$SMILES: OC(=O)C(C)c(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12) CH$LINK: KEGG C03080 CH$LINK: PUBCHEM SID:5978
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-0900000000-0d1c1fd48877d2f30057 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 59.100 143564.5 2 72.700 14851.5 1 78.700 39604.0 1 91.300 39604.0 1 93.200 99010.0 2 101.200 44554.5 1 106.800 173267.5 3 107.300 94059.5 2 108.100 64356.5 1 119.300 1594061.0 26 121.100 19138633.0 309 129.000 415842.0 7 135.300 64356.5 1 149.300 54455.5 1 165.100 61901052.0 999 //