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OCTYL ACETATE; CI-B; MS

Mass Spectrum

Chemical Structure

metabolomics-usi visualisation

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005188
RECORD_TITLE: OCTYL ACETATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: OCTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
CH$LINK: INCHIKEY YLYBTZIQSIBWLI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8044202

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-00di-0900000000-e264fc6a084c268fd0a9
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  101 0.9 9
  111 1.02 10
  113 3.75 38
  173 99.99 999
  174 11.69 117
  175 1.06 11
//

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Responsible: Tillmann G. Fischer

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