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MassBank Record: PS001401

(R)-4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol, (-)-Noradrenaline, Levarterenol, Levophed, Adrenor, (-)-Norepinephrine, L-Arterenol; LC-ESI-QQ; MS2

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

ACCESSION: PS001401
RECORD_TITLE: (R)-4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol, (-)-Noradrenaline, Levarterenol, Levophed, Adrenor, (-)-Norepinephrine, L-Arterenol; 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, A7257.
COMMENT: PRIMe compound in-house ID 14
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$NAME: (R)-4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol
CH$NAME: (-)-Noradrenaline
CH$NAME: Levarterenol
CH$NAME: Levophed
CH$NAME: Adrenor
CH$NAME: (-)-Norepinephrine
CH$NAME: L-Arterenol
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Noradrenaline
CH$FORMULA: C8H11NO3
CH$EXACT_MASS: 169.18
CH$SMILES: C1=CC(=C(C=C1C(CN)O)O)O
CH$IUPAC: InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2
CH$LINK: CAS 51-41-2
CH$LINK: KEGG C00547
CH$LINK: PUBCHEM CID:439260
CH$LINK: INCHIKEY SFLSHLFXELFNJZ-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 170.2

PK$SPLASH: splash10-0udi-0900000000-5823ac122ce910b382c5
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  151.0 30884.0 116
  152.0 266068.0 999
  170.0 19787.0 74
//

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