ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008041
RECORD_TITLE: ACETIC ACID META-TOLYL ESTER; 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$NAME: ACETIC ACID META-TOLYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₂
CH$EXACT_MASS: 150.06808
CH$SMILES: CC(=O)Oc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C9H10O2/c1-7-4-3-5-9(6-7)11-8(2)10/h3-6H,1-2H3
CH$LINK: INCHIKEY OTGAHJPFNKQGAE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7046041

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$SPLASH: splash10-0a4i-1900000000-60a176f9c7c3ebbf34e8
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  43 10.11 101
  77 3.1 31
  78 0.93 9
  79 5.37 54
  80 3.72 37
  90 3.51 35
  91 2.06 21
  107 20.43 204
  108 99.99 999
  109 8.67 87
  150 17.75 178
  151 1.86 19
//