ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005196
RECORD_TITLE: PENTYL 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$NAME: PENTYL CAPRYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₆O₂
CH$EXACT_MASS: 214.19328
CH$SMILES: CCCCCCCC(=O)OCCCCC
CH$IUPAC: InChI=1S/C13H26O2/c1-3-5-7-8-9-11-13(14)15-12-10-6-4-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY GJWGZSBNFSBUPX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5060932

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$SPLASH: splash10-014i-0190000000-44db1f781b49e1777092
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  127 5.22 52
  143 1.31 13
  145 11.23 112
  146 1.01 10
  213 1.73 17
  214 0.93 9
  215 99.99 999
  216 14.85 149
  217 1.45 15
//