ACCESSION: MSBNK-Keio_Univ-KO002427
RECORD_TITLE: Putrescine; 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 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 50 V

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

PK$SPLASH: splash10-001l-9000000000-3ca1e2cd5a7e125ac52e
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  30.100 79208.0 999
  44.100 49505.0 624
  55.000 29703.0 375
//