MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001053

2,5-DIMETHYLBENZOIC ACID TRIMETHYLSILYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001053
RECORD_TITLE: 2,5-DIMETHYLBENZOIC ACID TRIMETHYLSILYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

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CH$NAME: 2,5-DIMETHYLBENZOIC ACID TRIMETHYLSILYL ESTER
CH$NAME: TRIMETHYLSILYL 2,5-DIMETHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈O₂Si
CH$EXACT_MASS: 222.10761
CH$SMILES: Cc(c1)cc(c(C)c1)C(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C12H18O2Si/c1-9-6-7-10(2)11(8-9)12(13)14-15(3,4)5/h6-8H,1-5H3
CH$LINK: INCHIKEY DDDBDWYEBRVNBB-UHFFFAOYSA-N

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AC$INSTRUMENT: JEOL JMS-01-SG
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-001i-2930000000-fbb84a0894282bff8f5a
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  73 11.7 117
  75 4.9 49
  77 23.5 235
  79 1.27 13
  96 11.7 117
  103 10.7 107
  104 14.7 147
  105 2.84 28
  132 55.8 558
  133 99.99 999
  134 4.9 49
  163 3.72 37
  207 62.7 627
  208 4.9 49
  222 15.6 156
//