MassBank Record: PB000485



 Spermidine; LC-ESI-QTOF; MS2; CE:35 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000485
RECORD_TITLE: Spermidine; LC-ESI-QTOF; MS2; CE:35 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$MASS_SPECTROMETRY: COLLISION_ENERGY 35 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9000000000-8a77bd9436d55b064332 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 42.036 71.353 6 55.057 382.576 37 56.053 58.022 4 58.068 1377.429 136 65.041 70.967 6 70.067 135.462 12 72.082 10000.000 999 84.084 3347.871 333 90.048 36.139 2 91.056 1445.545 143 112.115 462.482 45 117.061 356.917 34 118.070 359.383 34 //