MassBank Record: KO002657



 1,3-Diaminopropane; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //