MassBank Record: PB000486



 Spermidine; LC-ESI-QTOF; MS2; CE:45 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000486
RECORD_TITLE: Spermidine; LC-ESI-QTOF; MS2; CE:45 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.01.02, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 269
COMMENT: CONFIDENCE: confident structure

CH$NAME: Spermidine CH$NAME: N-(3-aminopropyl)butane-1,4-diamine CH$COMPOUND_CLASS: Natural Product; biogenic amine CH$FORMULA: C7H19N3 CH$EXACT_MASS: 145.15790 CH$SMILES: C(CCNCCCN)CN CH$IUPAC: InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 CH$LINK: INCHIKEY ATHGHQPFGPMSJY-UHFFFAOYSA-N CH$LINK: KEGG C00315 CH$LINK: PUBCHEM CID:1102
AC$INSTRUMENT: API QSTAR Pulsar i AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 45 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9000000000-53ef0689f6b4e47cb1a3 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 39.025 62.967 5 41.041 165.094 15 42.036 534.665 52 43.045 72.535 6 44.052 148.629 13 53.042 77.430 6 55.057 1670.301 166 56.052 261.659 25 58.068 1876.780 186 65.041 943.841 93 70.068 191.572 18 72.082 10000.000 999 84.084 4583.927 457 89.042 251.647 24 90.048 442.551 43 91.057 2559.852 254 112.116 68.530 5 117.061 680.847 67 118.070 104.130 9 //