ACCESSION: MSBNK-RIKEN_ReSpect-PT209950
RECORD_TITLE: 2-Hydroxyphenylacetic acid, 2-(2-hydroxyphenyl)acetic acid, 2-Hydroxyphenylacetate, 2-Hydroxy-2-phenylacetic Acid; LC-ESI-QTOF; MS2
DATE: 2008.07.29
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 2-Hydroxyphenylacetic acid
CH$NAME: 2-(2-hydroxyphenyl)acetic acid
CH$NAME: 2-Hydroxyphenylacetate
CH$NAME: 2-Hydroxy-2-phenylacetic Acid
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Carboxylic acid CLASS3 Acetic acid
CH$FORMULA: C₈H₈O₃
CH$EXACT_MASS: 152.149
CH$SMILES: C1=CC=C(C(=C1)CC(=O)O)O
CH$IUPAC: InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
CH$LINK: CAS 614-75-5
CH$LINK: INCHIKEY CCVYRRGZDBSHFU-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 151.03954

PK$SPLASH: splash10-0a4i-0900000000-e7c99cfd03a6c025cf2c
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
107.0497 1375.0 999
151.0395 143.7 104
//