ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005189
RECORD_TITLE: PENTYL BENZOATE; 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$NAME: PENTYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: CCCCCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3
CH$LINK: INCHIKEY QKNZNUNCDJZTCH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2051849

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$SPLASH: splash10-0006-0900000000-ad5059ca47edad08e3b6
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  105 8.55 86
  123 15.82 158
  124 1.3 13
  163 1.38 14
  192 1.08 11
  193 99.99 999
  194 15.21 152
  195 1.44 14
//