MassBank Record: KO000971



 4-Hydroxyphenylacetic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000971
RECORD_TITLE: 4-Hydroxyphenylacetic acid; LC-ESI-QQ; MS2; CE:40 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 H006

CH$NAME: p-Hydroxyphenylacetate CH$NAME: 4-Hydroxyphenylacetic acid CH$NAME: 4-Hydroxyphenylacetate CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H8O3 CH$EXACT_MASS: 152.04734 CH$SMILES: OC(=O)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) CH$LINK: CAS 156-38-7 CH$LINK: CHEBI 18101 CH$LINK: KEGG C00642 CH$LINK: NIKKAJI J5.873D CH$LINK: PUBCHEM SID:3915
AC$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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 151 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9000000000-0a95379b7cea57386b0b PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 58.800 326733.0 999 77.000 79208.0 242 79.200 44554.5 136 93.000 69307.0 212 107.200 34653.5 106 //