ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001085
RECORD_TITLE: 4,4-BIS(PARA-(TRIMETHYLSILYL)OXY-PHENYL)-VALERIC 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$NAME: 4,4-BIS(PARA-(TRIMETHYLSILYL)OXY-PHENYL)-VALERIC ACID TRIMETHYLSILYL ESTER
CH$NAME: TRIMETHYLSILYL 4,4-BIS(PARA-TRIMETHYLSILOXYPHENYL)PENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C26H42O4Si3
CH$EXACT_MASS: 502.23909
CH$SMILES: c(O[Si](C)(C)C)(c2)ccc(c2)C(CCC(=O)O[Si](C)(C)C)(c(c1)ccc(O[Si](C)(C)C)c1)C
CH$IUPAC: InChI=1S/C26H42O4Si3/c1-26(20-19-25(27)30-33(8,9)10,21-11-15-23(16-12-21)28-31(2,3)4)22-13-17-24(18-14-22)29-32(5,6)7/h11-18H,19-20H2,1-10H3
CH$LINK: INCHIKEY HPGZDRRKNPSYSR-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$SPLASH: splash10-0a4i-3009000000-6228a9a7bd937e9eb574
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  44 20.4 204
  45 4.2 42
  73 23.8 238
  74 0.3 3
  75 4 40
  135 3.1 31
  191 7 70
  193 0.35 4
  219 2.7 27
  321 6.2 62
  357 99.99 999
  358 3.95 40
  359 19.1 191
  369 3.1 31
  487 5 50
//
