ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001083
RECORD_TITLE: DL-ALPHA,3,4-TRI(TRIMETHYLSILYL)OXY-PHENYLACETIC 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

CH$NAME: DL-ALPHA,3,4-TRI(TRIMETHYLSILYL)OXY-PHENYLACETIC ACID TRIMETHYLSILYL ESTER
CH$NAME: TRIMETHYLSILYL DL-ALPHA-(3,4-DI(TRIMETHYLSILOXY)PHENYL)-ALPHA-TRIMETHYLSILOXYACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₄₀O₅Si₄
CH$EXACT_MASS: 472.19528
CH$SMILES: C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)c(c1)cc(O[Si](C)(C)C)c(c1)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C20H40O5Si4/c1-26(2,3)22-17-14-13-16(15-18(17)23-27(4,5)6)19(24-28(7,8)9)20(21)25-29(10,11)12/h13-15,19H,1-12H3
CH$LINK: INCHIKEY MDAKQGIALDYWHV-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$SPLASH: splash10-0a4i-2009000000-1e4170547e90b786418a
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  45 16.4 164
  73 39.1 391
  147 10.2 102
  267 0.71 7
  355 99.99 999
  356 55.1 551
  357 36.5 365
  358 0.59 6
  429 9.6 96
  430 3.9 39
  457 3.3 33
//