ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005977
RECORD_TITLE: ORTHO-TOLYL ACETATE; 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$NAME: ORTHO-TOLYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₂
CH$EXACT_MASS: 150.06808
CH$SMILES: CC(=O)Oc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3
CH$LINK: INCHIKEY AMZORBZSQRUXNC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7060201

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0a4i-2900000000-cf28f71818cfe2171282
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  77 8.7 87
  78 1.54 15
  79 21.46 215
  80 8.02 80
  89 8.35 84
  90 6.56 66
  91 5.4 54
  107 99.99 999
  108 75.64 756
  109 17.26 173
  110 1.13 11
  150 9.02 90
  151 1.86 19
//