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MassBank Record: MSBNK-RIKEN_ReSpect-PT101740

Amidinobenzene hydrochloride, Benzenecarboximidamide hydrochloride, Benzamidinium chloride, Benzamidine hydrochloride hydrate, benzenecarboximidamide; LC-ESI-QTOF; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PT101740
RECORD_TITLE: Amidinobenzene hydrochloride, Benzenecarboximidamide hydrochloride, Benzamidinium chloride, Benzamidine hydrochloride hydrate, benzenecarboximidamide; 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$NAME: Amidinobenzene hydrochloride
CH$NAME: Benzenecarboximidamide hydrochloride
CH$NAME: Benzamidinium chloride
CH$NAME: Benzamidine hydrochloride hydrate
CH$NAME: benzenecarboximidamide
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Benzamidine
CH$FORMULA: C7H8N2
CH$EXACT_MASS: 120.155
CH$SMILES: C1=CC=C(C=C1)C(=N)N
CH$IUPAC: InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
CH$LINK: CAS 618-39-3
CH$LINK: INCHIKEY PXXJHWLDUBFPOL-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 121.07654

PK$SPLASH: splash10-00di-0900000000-eb7ea507f9e99dd7ec87
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  104.0497 39.94 21
  121.0172 32.34 17
  121.0765 1878.0 999
//

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