ACCESSION: MSBNK-RIKEN_ReSpect-PT101723
RECORD_TITLE: Aminophen, aniline, Benzeneamine, aminobenzene, phenylamine, Arylamine, Benzidam, Anyvim, kyanol, Krystallin, Benzamine, Aniline, Aminobenzene; LC-ESI-QTOF; MS2
DATE: 2008.07.25
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$NAME: Aminophen
CH$NAME: aniline
CH$NAME: Benzeneamine
CH$NAME: aminobenzene
CH$NAME: phenylamine
CH$NAME: Arylamine
CH$NAME: Benzidam
CH$NAME: Anyvim
CH$NAME: kyanol
CH$NAME: Krystallin
CH$NAME: Benzamine
CH$NAME: Aniline
CH$NAME: Aminobenzene
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Aniline
CH$FORMULA: C₆H₇N
CH$EXACT_MASS: 93.129
CH$SMILES: C1=CC=C(C=C1)N
CH$IUPAC: InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
CH$LINK: CAS 62-53-3
CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-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 30 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 94.06565

PK$SPLASH: splash10-0006-9000000000-8ab282b725391b0d9923
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  77.0347 2.134 316
  78.4789 0.5782 86
  94.0657 6.753 999
//