ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001035
RECORD_TITLE: PHENYL-MALONIC ACID BIS(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

CH$NAME: PHENYL-MALONIC ACID BIS(TRIMETHYLSILYL) ESTER
CH$NAME: DI(TRIMETHYLSILYL) PHENYLMALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄O₄Si₂
CH$EXACT_MASS: 324.12131
CH$SMILES: c(c1)ccc(c1)C(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C15H24O4Si2/c1-20(2,3)18-14(16)13(12-10-8-7-9-11-12)15(17)19-21(4,5)6/h7-11,13H,1-6H3
CH$LINK: INCHIKEY AIZHQFQKWQSRKR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80508473

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00dj-9220000000-12f638bd72ab80dc58e5
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  43 27.1 271
  44 4.7 47
  45 25 250
  47 0.43 4
  73 99.99 999
  74 8.2 82
  75 24.6 246
  77 1.2 12
  89 8.2 82
  90 12 120
  117 4.3 43
  118 1.51 15
  119 4.3 43
  133 6.4 64
  145 17.3 173
  147 7.1 71
  148 11.8 118
  149 7.2 72
  163 4.1 41
  206 1.42 14
  207 7.2 72
  234 18.6 186
  235 2.4 24
  265 3.95 40
  266 9.7 97
  267 2.2 22
  279 4.7 47
  281 0.99 10
  282 1.6 16
  309 9.1 91
  310 1.4 14
//