ACCESSION: MSBNK-RIKEN_ReSpect-PS099501
RECORD_TITLE: 2-Hydroxyphenylacetic acid, 2-Hydroxyphenylacetate, 2-Hydroxy-2-phenylacetic Acid; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound Aldrich, H49804.
COMMENT: PRIMe compound in-house ID N0053
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

CH$NAME: 2-Hydroxyphenylacetic acid
CH$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: KEGG C05852
CH$LINK: PUBCHEM CID:11970
CH$LINK: INCHIKEY CCVYRRGZDBSHFU-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 152.13

PK$SPLASH: splash10-03di-0900000000-c61d19000c52f476a6bc
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
110.0 33621.0 454
111.0 74007.0 999
//