ACCESSION: MSBNK-RIKEN_ReSpect-PS002001
RECORD_TITLE: (R)-(-)-Phenylephrine hydrochloride, Mesaton, Neo-Synephrine, L-(3-Hydroxyphenyl)-N-methylethanolamine hydrochloride, Visadron, Metasympatol, (R)-(?)-1-(3-Hydroxyphenyl)-2-methylaminoethanol hydrochloride, m-Sympatol, m-Oxedrine, Metaoxedrine, Mezaton; 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, P6126.
COMMENT: PRIMe compound in-house ID 20
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$NAME: (R)-(-)-Phenylephrine hydrochloride
CH$NAME: Mesaton
CH$NAME: Neo-Synephrine
CH$NAME: L-(3-Hydroxyphenyl)-N-methylethanolamine hydrochloride
CH$NAME: Visadron
CH$NAME: Metasympatol
CH$NAME: (R)-(?)-1-(3-Hydroxyphenyl)-2-methylaminoethanol hydrochloride
CH$NAME: m-Sympatol
CH$NAME: m-Oxedrine
CH$NAME: Metaoxedrine
CH$NAME: Mezaton
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Phenylephrine
CH$FORMULA: C₉H₁₃NO₂
CH$EXACT_MASS: 167.208
CH$SMILES: CNCC(C1=CC(=CC=C1)O)O
CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3
CH$LINK: CAS 59-42-7
CH$LINK: KEGG C07441
CH$LINK: PUBCHEM CID:6041
CH$LINK: INCHIKEY SONNWYBIRXJNDC-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 168.2

PK$SPLASH: splash10-0gb9-0900000000-910b245e0243cd238922
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  150.0 1320391.0 670
  167.0 114938.0 58
  168.0 1969262.0 999
//