MassBank Record: PB000490



 Spermine; 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: PB000490
RECORD_TITLE: Spermine; 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: 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$MASS_SPECTROMETRY: COLLISION_ENERGY 45 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9100000000-94edccd3f0c29b1d1550 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 41.040 45.561 3 42.035 134.437 12 55.055 197.324 18 56.050 103.234 9 58.066 1126.993 111 67.056 25.668 1 70.066 363.606 35 72.081 562.775 55 84.081 10000.000 999 98.097 53.582 4 112.114 2063.400 205 //