MassBank Record: MSBNK-RIKEN_ReSpect-PS036402
ACCESSION: MSBNK-RIKEN_ReSpect-PS036402
RECORD_TITLE: 2-(4-Hydroxyphenyl)ethylamine, Systogene, 4-(2-Aminoethyl)phenol, Tyramine, 4-Hydroxyphenethylamine, Uteramine, 4-Hydroxy-beta-phenylethylamine, Tyrosamine; 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 SIGMA, T7255(T90344).
COMMENT: PRIMe compound in-house ID 364
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$NAME: 2-(4-Hydroxyphenyl)ethylamine
CH$NAME: Systogene
CH$NAME: 4-(2-Aminoethyl)phenol
CH$NAME: Tyramine
CH$NAME: 4-Hydroxyphenethylamine
CH$NAME: Uteramine
CH$NAME: 4-Hydroxy-beta-phenylethylamine
CH$NAME: Tyrosamine
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Tyramine
CH$FORMULA: C8H11NO
CH$EXACT_MASS: 137.182
CH$SMILES: C1=CC(=CC=C1CCN)O
CH$IUPAC: InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
CH$LINK: CAS
51-67-2
CH$LINK: KEGG
C00483
CH$LINK: PUBCHEM
CID:5610
CH$LINK: INCHIKEY
DZGWFCGJZKJUFP-UHFFFAOYSA-N
AC$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$MASS_SPECTROMETRY: COLLISION_ENERGY 20
MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 138.15
PK$SPLASH: splash10-00di-0900000000-abbff267d27434c1d73d
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
91.0 16110.0 32
93.0 26489.0 53
103.0 19014.0 38
120.0 100260.0 199
121.0 502887.0 999
//
system version 2.2.8-SNAPSHOT