MassBank Record: KO002659



 1,3-Diaminopropane; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002659
RECORD_TITLE: 1,3-Diaminopropane; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 75 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-9000000000-8b74b5893bc8add3c780 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 11.200 74257.5 24 19.100 29703.0 10 25.200 34653.5 11 30.300 183168.5 59 31.400 69307.0 22 35.700 19802.0 6 41.000 450495.5 145 42.800 282178.5 91 43.400 14851.5 5 58.200 3113864.5 999 62.300 44554.5 14 133.200 79208.0 25 154.300 19802.0 6 241.600 74257.5 24 //