ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005204
RECORD_TITLE: ETHYL CAPRYLATE; 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$NAME: ETHYL CAPRYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
CH$LINK: INCHIKEY YYZUSRORWSJGET-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8051542

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$SPLASH: splash10-00di-1900000000-95c74d7036b5a8476b30
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  78 3.85 39
  81 2.43 24
  84 2.78 28
  88 4.48 45
  89 2.45 25
  94 1.8 18
  97 1.41 14
  113 2.12 21
  125 2.3 23
  127 2.74 27
  171 2.01 20
  173 99.99 999
  174 11.45 115
//