MassBank Record: KO002658



 1,3-Diaminopropane; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002658
RECORD_TITLE: 1,3-Diaminopropane; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., 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$LINK: INCHIKEY XFNJVJPLKCPIBV-UHFFFAOYSA-N
AC$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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 75 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-9000000000-ea81063cc5dad3d70e4a PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 12.900 89109.0 4 29.600 74257.5 3 34.300 44554.5 2 39.000 54455.5 2 41.100 277228.0 12 42.800 24752.5 1 46.500 44554.5 2 52.800 128713.0 6 55.300 59406.0 3 58.100 22569329.5 999 75.100 1277229.0 57 76.600 24752.5 1 79.000 74257.5 3 90.800 54455.5 2 758.800 19802.0 1 //