ACCESSION: MSBNK-Keio_Univ-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$LINK: KEGG C02714
CH$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 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.
  29.000 54455.5 16
  30.100 306931.0 92
  39.000 79208.0 24
  40.800 39604.0 12
  42.400 64356.5 19
  43.200 2034655.5 608
  44.200 257426.0 77
  53.100 44554.5 13
  55.200 559406.5 167
  60.200 89109.0 27
  68.300 19802.0 6
  70.400 14851.5 4
  72.100 3341587.5 999
  76.600 44554.5 13
//