ACCESSION: MSBNK-Keio_Univ-KO002149
RECORD_TITLE: N-Acetylputrescine; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-0229-9700000000-128ded2b5a97118c2d5d
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  30.300 103960.5 1
  40.600 69307.0 1
  43.100 391089.5 3
  55.300 1094060.5 9
  57.400 9901.0 1
  60.100 2257428.0 18
  67.900 356436.0 3
  69.100 89109.0 1
  71.500 1584160.0 13
  72.000 125990225.0 999
  73.700 143564.5 1
  77.400 34653.5 1
  79.000 69307.0 1
  81.000 148515.0 1
  86.000 84158.5 1
  89.200 267327.0 2
  89.800 34653.5 1
  96.000 168317.0 1
  96.800 59406.0 1
  98.800 29703.0 1
  100.300 24752.5 1
  113.000 34653.5 1
  114.200 104990204.0 832
  131.200 6232679.5 49
  136.300 19802.0 1
  297.300 19802.0 1
//