ACCESSION: MSBNK-Keio_Univ-KO002150
RECORD_TITLE: N-Acetylputrescine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-00di-9000000000-170cecf2246d1432d9b1
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  30.200 331683.5 5
  38.900 24752.5 1
  41.400 39604.0 1
  42.900 2376240.0 32
  44.000 84158.5 1
  53.200 39604.0 1
  55.300 3737627.5 51
  60.200 2900993.0 39
  68.100 247525.0 3
  69.300 321782.5 4
  69.900 163366.5 2
  71.500 623763.0 8
  72.100 73450568.5 999
  78.900 460396.5 6
  82.500 39604.0 1
  85.900 64356.5 1
  95.900 212871.5 3
  97.300 79208.0 1
  114.400 4747529.5 65
  131.100 24752.5 1
  462.400 14851.5 1
//