ACCESSION: MSBNK-Keio_Univ-KO002657
RECORD_TITLE: 1,3-Diaminopropane; LC-ESI-QQ; MS2; CE:10 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 D035

CH$NAME: 1,3-Diaminopropane
CH$NAME: Trimethylenediamine
CH$NAME: 1,3-Propanediamine
CH$NAME: Propane-1,3-diamine
CH$COMPOUND_CLASS: Non-Natural Product
CH$FORMULA: C₃H₁₀N₂
CH$EXACT_MASS: 74.08440
CH$SMILES: NCCCN
CH$IUPAC: InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
CH$LINK: CAS 109-76-2
CH$LINK: CHEBI 15725
CH$LINK: KEGG C00986
CH$LINK: NIKKAJI J1.969K
CH$LINK: PUBCHEM SID:4233
CH$LINK: INCHIKEY XFNJVJPLKCPIBV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021906

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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 75
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-004i-9000000000-1d904fa654446f8e7cc9
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  13.200 39604.0 1
  14.600 54455.5 1
  18.100 94059.5 1
  26.000 39604.0 1
  31.700 99010.0 2
  35.000 64356.5 1
  39.000 94059.5 1
  47.400 39604.0 1
  58.100 28247553.0 441
  61.400 74257.5 1
  75.100 64000064.0 999
  99.100 128713.0 2
  129.600 14851.5 1
  135.300 34653.5 1
  332.600 19802.0 1
//