ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005214
RECORD_TITLE: ISOPENTYL PHENYLACETATE; 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$NAME: ISOPENTYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈O₂
CH$EXACT_MASS: 206.13068
CH$SMILES: CC(C)CCOC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
CH$LINK: INCHIKEY QWBQBUWZZBUFHN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2044501

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$SPLASH: splash10-0a4i-0290000000-1cc4ef40f78461a5ab88
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  91 8.92 89
  92 1.75 18
  119 1.18 12
  131 1.64 16
  136 3.34 33
  137 26.14 261
  138 2.25 23
  177 2.01 20
  179 0.95 10
  206 1.13 11
  207 99.99 999
  208 14.62 146
  209 1.42 14
//