ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005217
RECORD_TITLE: ISOBUTYL 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$NAME: ISOBUTYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: CC(C)COC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
CH$LINK: COMPTOX DTXSID6051512
CH$LINK: INCHIKEY RJASFPFZACBKBE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:60998

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$SPLASH: splash10-0006-0900000000-78bd0a1816009bb5fa9d
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  91 7.22 72
  92 2.05 21
  119 1.15 12
  131 1.84 18
  136 8.57 86
  137 43.18 432
  138 3.84 38
  159 0.96 10
  177 2.43 24
  179 1.38 14
  192 3.82 38
  193 99.99 999
  194 17.05 171
  195 1.7 17
//