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MassBank Record: MSBNK-RIKEN_ReSpect-PT103233

Azacyclohexane, Pentamethyleneimine, Hexazane, piperidine, Hexahydropyridine, Piperidine, Cypentil, Perhydroazine, Perhydropyridine, Cyclopentimine, Pentamethylenimine; LC-ESI-QTOF; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PT103233
RECORD_TITLE: Azacyclohexane, Pentamethyleneimine, Hexazane, piperidine, Hexahydropyridine, Piperidine, Cypentil, Perhydroazine, Perhydropyridine, Cyclopentimine, Pentamethylenimine; 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$NAME: Azacyclohexane
CH$NAME: Pentamethyleneimine
CH$NAME: Hexazane
CH$NAME: piperidine
CH$NAME: Hexahydropyridine
CH$NAME: Piperidine
CH$NAME: Cypentil
CH$NAME: Perhydroazine
CH$NAME: Perhydropyridine
CH$NAME: Cyclopentimine
CH$NAME: Pentamethylenimine
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Piperidine
CH$FORMULA: C5H11N
CH$EXACT_MASS: 85.15
CH$SMILES: C1CCNCC1
CH$IUPAC: InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2
CH$LINK: CAS 110-89-4
CH$LINK: INCHIKEY NQRYJNQNLNOLGT-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 86.09694

PK$SPLASH: splash10-000i-9000000000-155786c0621c522e75a7
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  69.071 9.169 79
  86.066 1.183 10
  86.0969 115.8 999
//

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