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MassBank Record: PT101720

Aminophen, aniline, Benzeneamine, aminobenzene, phenylamine, Arylamine, Benzidam, Anyvim, kyanol, Krystallin, Benzamine, Aniline, Aminobenzene; LC-ESI-QTOF; MS2

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

ACCESSION: PT101720
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 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 94.06565

PK$SPLASH: splash10-0006-9000000000-a5bc25b5010f2044b435
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  94.0349 11.77 21
  94.0657 566.1 999
//

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