MassBank Record: KO002660

Home Search Record Index Data Privacy Imprint

1,3-Diaminopropane; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002660
RECORD_TITLE: 1,3-Diaminopropane; 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 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$EXACT_MASS: 74.0844
CH$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: COMPTOX DTXSID1021906
CH$LINK: INCHIKEY XFNJVJPLKCPIBV-UHFFFAOYSA-N
CH$LINK: KEGG C00986
CH$LINK: NIKKAJI J1.969K
CH$LINK: PUBCHEM SID:4233

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

PK$SPLASH: splash10-0a4l-9100000000-dad850c9eb355f048f2d
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  20.8 54455.5 196.0
  30.2 108911.0 392.0
  40.9 123762.0 446.0
  42.0 113862.0 410.0
  42.6 123762.0 446.0
  45.3 39604.0 143.0
  55.9 89109.0 321.0
  57.4 24752.5 89.0
  58.1 277228.0 999.0
  75.7 24752.5 89.0
  118.7 14851.5 54.0
  121.9 14851.5 54.0
  149.9 74257.5 268.0
  154.2 14851.5 54.0
  159.7 44554.5 161.0
  273.6 14851.5 54.0
  284.7 9901.0 36.0
  470.1 19802.0 71.0
  546.4 24752.5 89.0
//