MassBank Record: KO002661



 1,3-Diaminopropane; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002661
RECORD_TITLE: 1,3-Diaminopropane; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 75 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-9100000000-85942617edb7fb706c9f PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 18.300 103960.5 656 31.700 44554.5 281 37.800 49505.0 312 38.800 49505.0 312 42.400 158416.0 999 44.700 89109.0 562 56.900 9901.0 62 61.200 59406.0 375 103.700 19802.0 125 128.300 44554.5 281 202.100 44554.5 281 392.600 24752.5 156 495.900 34653.5 219 //