ACCESSION: MSBNK-Keio_Univ-KO002148
RECORD_TITLE: N-Acetylputrescine; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-001i-0900000000-409c4453575d652233d4
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  41.000 103960.5 1
  42.600 24752.5 1
  54.800 39604.0 1
  59.200 871288.0 2
  60.000 64356.5 1
  67.900 9901.0 1
  71.500 188119.0 1
  72.100 12415854.0 35
  74.000 118812.0 1
  77.100 227723.0 1
  80.900 985149.5 3
  85.100 227723.0 1
  89.300 89109.0 1
  89.500 24752.5 1
  95.800 39604.0 1
  97.200 29703.0 1
  99.000 2019804.0 6
  100.000 173267.5 1
  113.000 1212872.5 3
  114.000 151881340.0 427
  131.000 355218177.0 999
//