MassBank Record: PB000489



 Spermine; 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: PB000489
RECORD_TITLE: Spermine; 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: 270
COMMENT: CONFIDENCE: confident structure

CH$NAME: Spermine CH$NAME: N,N'-bis(3-aminopropyl)butane-1,4-diamine CH$COMPOUND_CLASS: Natural Product; biogenic amine CH$FORMULA: C10H26N4 CH$EXACT_MASS: 202.21575 CH$SMILES: C(CCNCCCN)CNCCCN CH$IUPAC: InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2 CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N CH$LINK: KEGG C00750 CH$LINK: PUBCHEM CID:1103
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: splash10-01q9-9700000000-23a9dff5cfa7893bf88a PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 58.066 1741.381 173 70.066 345.674 33 72.081 941.099 93 84.081 10000.000 999 112.114 9978.622 996 129.139 342.142 33 //