ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001042
RECORD_TITLE: BENZYLMALONIC 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$NAME: BENZYLMALONIC ACID BIS(TRIMETHYLSILYL) ESTER
CH$NAME: DI(TRIMETHYLSILYL) BENZYLMALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₆O₄Si₂
CH$EXACT_MASS: 338.13696
CH$SMILES: c(c1)ccc(c1)CC(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C16H26O4Si2/c1-21(2,3)19-15(17)14(16(18)20-22(4,5)6)12-13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3
CH$LINK: INCHIKEY AKZYXWZPWVNMMW-UHFFFAOYSA-N

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$SPLASH: splash10-004i-9200000000-4bfc829390bd732a19ac
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  43 12.9 129
  44 25.5 255
  45 30.1 301
  47 2.23 22
  49 11.4 114
  51 12.4 124
  73 33.3 333
  75 99.99 999
  76 10.4 104
  77 67.5 675
  78 11.6 116
  91 1.19 12
  93 12.4 124
  103 14.8 148
  104 24.4 244
  131 2.02 20
  132 13.6 136
  147 17.5 175
  161 5.3 53
  205 0.77 8
  207 3.8 38
//