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MassBank Record: PT100680

Putrescine, 1,4-Diaminobutane, 1,4-Butanediamine, butane-1,4-diamine, Tetramethylenediamine; LC-ESI-QTOF; MS2

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

ACCESSION: PT100680
RECORD_TITLE: Putrescine, 1,4-Diaminobutane, 1,4-Butanediamine, butane-1,4-diamine, Tetramethylenediamine; 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$NAME: Putrescine
CH$NAME: 1,4-Diaminobutane
CH$NAME: 1,4-Butanediamine
CH$NAME: butane-1,4-diamine
CH$NAME: Tetramethylenediamine
CH$COMPOUND_CLASS: CLASS1 Alkaloid CLASS2 Polyamine CLASS3 Putrescine
CH$FORMULA: C4H12N2
CH$EXACT_MASS: 88.154
CH$SMILES: C(CCN)CN
CH$IUPAC: InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
CH$LINK: CAS 110-60-1
CH$LINK: INCHIKEY KIDHWZJUCRJVML-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 89.10784

PK$SPLASH: splash10-000i-9000000000-830221d5ea74a91c32e1
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  72.0827 3.329 137
  89.1078 24.35 999
//

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