ACCESSION: MSBNK-RIKEN_ReSpect-PT100200
RECORD_TITLE: (R)-(-)-Phenylephrine hydrochloride, Mesaton, Neo-Synephrine, 3-[(1R)-1-hydroxy-2-methylaminoethyl]phenol, L-(3-Hydroxyphenyl)-N-methylethanolamine hydrochloride, Visadron, Metasympatol, (R)-(?)-1-(3-Hydroxyphenyl)-2-methylaminoethanol hydrochloride, m-Sympatol, m-Oxedrine, Metaoxedrine, Mezaton; LC-ESI-QTOF; MS2
DATE: 2008.07.24
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: (R)-(-)-Phenylephrine hydrochloride
CH$NAME: Mesaton
CH$NAME: Neo-Synephrine
CH$NAME: 3-[(1R)-1-hydroxy-2-methylaminoethyl]phenol
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: INCHIKEY SONNWYBIRXJNDC-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 168.10242

PK$SPLASH: splash10-014i-0900000000-4a910a2109ba191b96e7
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
150.0875 512.0 278
168.096 1841.0 999
//