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MassBank Record: MSBNK-RIKEN_ReSpect-PT104990

Acetylputrescine, N-(4-aminobutyl)acetamide, N-acetyl putrescine hydrochloride; LC-ESI-QTOF; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PT104990
RECORD_TITLE: Acetylputrescine, N-(4-aminobutyl)acetamide, N-acetyl putrescine hydrochloride; 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$NAME: Acetylputrescine
CH$NAME: N-(4-aminobutyl)acetamide
CH$NAME: N-acetyl putrescine hydrochloride
CH$COMPOUND_CLASS: CLASS1 Alkaloid CLASS2 Polyamine CLASS3 Putrescine
CH$FORMULA: C6H14N2O
CH$EXACT_MASS: 130.191
CH$SMILES: CC(=O)NCCCCN
CH$IUPAC: InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)
CH$LINK: CAS 18233-70-0
CH$LINK: INCHIKEY KLZGKIDSEJWEDW-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 131.11841

PK$SPLASH: splash10-03k9-4900000000-bee7a2928577d361331e
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  72.0816 1035.0 658
  114.0915 1571.0 999
  131.1184 494.1 314
//

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