ACCESSION: MSBNK-Keio_Univ-KO002151
RECORD_TITLE: N-Acetylputrescine; LC-ESI-QQ; MS2; CE:40 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$LINK: KEGG C02714
CH$LINK: PUBCHEM SID:5677
CH$LINK: INCHIKEY KLZGKIDSEJWEDW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80205596

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 40 V

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

PK$SPLASH: splash10-00di-9000000000-4921ba95eaa0b725f1e9
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  30.200 445545.0 20
  39.100 59406.0 3
  41.100 49505.0 2
  43.100 3544558.0 160
  44.000 257426.0 12
  53.200 138614.0 6
  55.100 2792082.0 126
  60.100 801981.0 36
  68.100 103960.5 5
  69.300 123762.5 6
  69.900 99010.0 4
  72.100 22084180.5 999
  77.300 14851.5 1
  78.800 94059.5 4
  96.300 49505.0 2
  114.100 118812.0 5
  216.400 19802.0 1
//