MassBank Record: KO002660



 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) \n

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$EXACT_MASS: 74.08440 CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$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. 20.800 54455.5 196 30.200 108911.0 392 40.900 123762.5 446 42.000 113861.5 410 42.600 123762.5 446 45.300 39604.0 143 55.900 89109.0 321 57.400 24752.5 89 58.100 277228.0 999 75.700 24752.5 89 118.700 14851.5 54 121.900 14851.5 54 149.900 74257.5 268 154.200 14851.5 54 159.700 44554.5 161 273.600 14851.5 54 284.700 9901.0 36 470.100 19802.0 71 546.400 24752.5 89 //