MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005188
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
//