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MassBank Record: MSBNK-RIKEN_ReSpect-PS036404

2-(4-Hydroxyphenyl)ethylamine, Systogene, 4-(2-Aminoethyl)phenol, Tyramine, 4-Hydroxyphenethylamine, Uteramine, 4-Hydroxy-beta-phenylethylamine, Tyrosamine; LC-ESI-QQ; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN_ReSpect-PS036404
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 40

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 138.15

PK$SPLASH: splash10-004i-9200000000-602b74125d62222e7070
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  76.0 12239.0 134
  77.0 91551.0 999
  91.0 17303.0 189
  102.0 5383.0 59
  103.0 19012.0 207
  121.0 9677.0 106
//

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