MassBank Record: KO002152

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N-Acetylputrescine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO002152
RECORD_TITLE: N-Acetylputrescine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A051

CH$NAME: N-Acetylputrescine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14N2O
CH$EXACT_MASS: 130.11061
CH$SMILES: NCCCCNC(C)=O
CH$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: CHEBI 17768
CH$LINK: COMPTOX DTXSID80205596
CH$LINK: INCHIKEY KLZGKIDSEJWEDW-UHFFFAOYSA-N
CH$LINK: KEGG C02714
CH$LINK: PUBCHEM SID:5677

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE: MS2
AC$MASS_SPECTROMETRY: ION_MODE: POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 131
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00dl-9000000000-6822cd785ae4293a429c
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  29.0 54455.5 16.0
  30.1 306931.0 92.0
  39.0 79208.0 24.0
  40.8 39604.0 12.0
  42.4 64356.5 19.0
  43.2 2034660.0 608.0
  44.2 257426.0 77.0
  53.1 44554.5 13.0
  55.2 559406.0 167.0
  60.2 89109.0 27.0
  68.3 19802.0 6.0
  70.4 14851.5 4.0
  72.1 3341590.0 999.0
  76.6 44554.5 13.0
//