MassBank Record: KO000969



 4-Hydroxyphenylacetic 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: KO000969
RECORD_TITLE: 4-Hydroxyphenylacetic 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 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 151 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-4900000000-88da569804a98e1a99ea PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 59.200 1757427.5 504 76.900 24752.5 7 79.100 257426.0 74 92.200 94059.5 27 93.000 29703.0 9 105.100 178218.0 51 106.200 74257.5 21 107.000 3480201.5 999 107.800 9901.0 3 136.000 470297.5 135 151.100 509901.5 146 //