MassBank Record: KO001141



 2-(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: KO001141
RECORD_TITLE: 2-(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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 165 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-01b9-2900000000-0e20fe3cb14a45fb328f PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 59.100 163366.5 62 71.200 158416.0 60 74.900 59406.0 22 79.100 34653.5 13 93.100 1326734.0 500 100.900 24752.5 9 106.000 277228.0 104 118.800 1797031.5 677 120.900 2653468.0 999 129.200 84158.5 32 148.800 321782.5 121 150.500 173267.5 65 165.300 1608912.5 606 //