ACCESSION: MSBNK-Keio_Univ-KO002426
RECORD_TITLE: Putrescine; 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 B001

CH$NAME: 1,4-Butanediamine
CH$NAME: Tetramethylenediamine
CH$NAME: Putrescine
CH$NAME: 1,4-Diaminobutane
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₄H₁₂N₂
CH$EXACT_MASS: 88.10005
CH$SMILES: NCCCCN
CH$IUPAC: InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
CH$LINK: CAS 110-60-1
CH$LINK: CHEBI 17148
CH$LINK: CHEMPDB PUT
CH$LINK: KEGG C00134
CH$LINK: NIKKAJI J1.979H
CH$LINK: PUBCHEM SID:3434
CH$LINK: INCHIKEY KIDHWZJUCRJVML-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4041107

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$FOCUSED_ION: PRECURSOR_M/Z 89
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-9000000000-84da87b521647b4f42ab
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  30.300 173267.5 158
  42.800 19802.0 18
  43.700 44554.5 41
  55.000 158416.0 145
  56.200 9901.0 9
  72.200 1094060.5 999
  918.800 9901.0 9
//