ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005913
RECORD_TITLE: ORTHO-TOLYL ACETATE; EI-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$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-1900000000-614851cf9c5ebcbe1560
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  43 11.27 113
  77 2.27 23
  79 3.72 37
  80 3.41 34
  90 5.37 54
  91 1.65 17
  107 16.12 161
  108 99.99 999
  109 7.75 78
  122 1.03 10
  150 19.64 196
  151 2.06 21
//