This website uses technical necessary cookies (e.g. session ID) and in addition the Matomo web analytics tool. Matomo enables us to evaluate the use of our website in compliance with GDPR (Directive 95/46/EC). Data Privacy Policy
This banner can be opend with the 'Data Privacy'-button. Your consent to the use of Matomo can be revoked any time. To make that choice, please un-check below.

Tracking is enabled. Click here to decline.

OCTANE; CI-B; MS

Mass Spectrum

Chemical Structure

metabolomics-usi visualisation

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012139
RECORD_TITLE: OCTANE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: OCTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈
CH$EXACT_MASS: 114.14085
CH$SMILES: CCCCCCCC
CH$IUPAC: InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
CH$LINK: CAS 111-65-9
CH$LINK: INCHIKEY TVMXDCGIABBOFY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0026882

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$SPLASH: splash10-08fr-9600000000-0ad297c5bbdcd8255dfc
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  57 84.34 843
  58 3.93 39
  71 53.89 539
  72 3.22 32
  85 14.23 142
  99 4.55 46
  113 99.99 999
  114 12.59 126
//

Imprint Feedback

system version 2.2.8

Responsible: Tillmann G. Fischer

Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI4Chem – Projektnummer 441958208.