ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009637
RECORD_TITLE: ETHYL 2,4,6-TRIMETHYLBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 2,4,6-TRIMETHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: CCOC(=O)c(c(C)1)c(C)cc(C)c1
CH$IUPAC: InChI=1S/C12H16O2/c1-5-14-12(13)11-9(3)6-8(2)7-10(11)4/h6-7H,5H2,1-4H3
CH$LINK: INCHIKEY ZXTXIZPSMQCYBN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60169980

AC$INSTRUMENT: JEOL JMS-DX-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-1900000000-9c887d7252a1c267ec5a
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  27 3.9 39
  29 4.1 41
  39 3.8 38
  41 0.58 6
  43 1.4 14
  51 3.1 31
  52 1.2 12
  53 0.21 2
  63 1.7 17
  65 3.5 35
  77 7.7 77
  78 0.28 3
  79 3.1 31
  91 14.6 146
  92 1.5 15
  93 0.1 1
  103 5.2 52
  104 3.1 31
  105 2.8 28
  107 0.14 1
  115 4.7 47
  116 1.1 11
  117 7.7 77
  118 0.72 7
  119 20.2 202
  120 3.1 31
  146 75.5 755
  147 99.99 999
  148 12.2 122
  149 1.3 13
  163 21 210
  164 0.5 5
  177 2.7 27
  192 52.3 523
  193 7 70
//