ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001084
RECORD_TITLE: 2-(TRIMETHYLSILYL)OXY-DOCOSANOIC 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$NAME: 2-(TRIMETHYLSILYL)OXY-DOCOSANOIC ACID TRIMETHYLSILYL ESTER
CH$NAME: TRIMETHYLSILYL 2-TRIMETHYLSILOXYDOCOSANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C28H60O3Si2
CH$EXACT_MASS: 500.40810
CH$SMILES: C[Si](C)(C)OC(=O)C(CCCCCCCCCCCCCCCCCCCC)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C28H60O3Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(30-32(2,3)4)28(29)31-33(5,6)7/h27H,8-26H2,1-7H3
CH$LINK: INCHIKEY RSDJSUMKDHUJPY-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$SPLASH: splash10-001i-9407000000-4ec6dcdafcd1e6c52c76
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  43 12.2 122
  44 1.6 16
  55 14.4 144
  57 2.58 26
  67 5 50
  69 15.2 152
  71 15.2 152
  73 5.67 57
  75 22 220
  77 2.1 21
  81 5 50
  82 0.5 5
  83 23.3 233
  85 11 110
  91 9.7 97
  95 0.88 9
  96 4.6 46
  97 23.7 237
  103 19.9 199
  111 1.39 14
  129 13.9 139
  147 37.7 377
  148 5 50
  149 0.5 5
  383 99.99 999
  384 29.2 292
  385 7.2 72
  457 0.46 5
  485 5.5 55
//
