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MassBank Record: PT100440

Pentamethylenediamine, pentane-1,5-diamine, 1,5-Pentanediamine, Cadaverine, 1,5-Diaminopentane; LC-ESI-QTOF; MS2

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

ACCESSION: PT100440
RECORD_TITLE: Pentamethylenediamine, pentane-1,5-diamine, 1,5-Pentanediamine, Cadaverine, 1,5-Diaminopentane; 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$NAME: Pentamethylenediamine
CH$NAME: pentane-1,5-diamine
CH$NAME: 1,5-Pentanediamine
CH$NAME: Cadaverine
CH$NAME: 1,5-Diaminopentane
CH$COMPOUND_CLASS: CLASS1 Alkaloid CLASS2 Polyamine CLASS3 Cadaverine
CH$FORMULA: C5H14N2
CH$EXACT_MASS: 102.181
CH$SMILES: C(CCN)CCN
CH$IUPAC: InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
CH$LINK: CAS 462-94-2
CH$LINK: INCHIKEY VHRGRCVQAFMJIZ-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 103.12349

PK$SPLASH: splash10-0udi-0900000000-b90d873498daae7ae4d4
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  86.0955 9.232 114
  103.0911 4.598 57
  103.1212 80.61 999
//

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