MassBank Record: JP012170

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EICOSANE; CI-B; MS
Mass Spectrum
Chemical Structure
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metabolomics-usi visualisation

ACCESSION: JP012170
RECORD_TITLE: EICOSANE; CI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: EICOSANE CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H42 CH$EXACT_MASS: 282.32865 CH$SMILES: CCCCCCCCCCCCCCCCCCCC CH$IUPAC: InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3 CH$LINK: CAS 112-95-8 CH$LINK: INCHIKEY CBFCDTFDPHXCNY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1025227
AC$INSTRUMENT: FINNIGAN-MAT 4500 AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE
PK$SPLASH: splash10-001i-0190000000-81b5d2ec93cf739de33d PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 57 2.79 28 71 3.93 39 85 5.16 52 99 3.56 36 113 3.16 32 127 3.04 30 141 2.95 30 155 2.83 28 169 2.86 29 183 2.9 29 197 2.9 29 211 2.98 30 225 3.3 33 239 3.02 30 253 3.83 38 267 12.63 126 268 2.55 26 281 99.99 999 282 21.23 212 283 2.25 23 //