ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007494
RECORD_TITLE: 4-OCTYLBENZOIC 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$NAME: 4-OCTYLBENZOIC ACID TRIMETHYLSILYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₀O₂Si
CH$EXACT_MASS: 306.20151
CH$SMILES: CCCCCCCCc(c1)ccc(c1)C(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C18H30O2Si/c1-5-6-7-8-9-10-11-16-12-14-17(15-13-16)18(19)20-21(2,3)4/h12-15H,5-11H2,1-4H3
CH$LINK: INCHIKEY HHEVFDHEVDTPGV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:101621311

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$SPLASH: splash10-0006-3090000000-2d19ef4994f800c73a99
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  41 1.3 13
  43 5.9 59
  44 2.6 26
  55 0.39 4
  57 1.3 13
  73 11.9 119
  75 5.9 59
  77 0.59 6
  89 1.9 19
  90 7.9 79
  91 16.5 165
  103 0.26 3
  104 1.9 19
  105 1.9 19
  115 1.3 13
  118 0.72 7
  131 1.3 13
  148 1.9 19
  192 2.6 26
  193 0.92 9
  205 2.6 26
  207 2.6 26
  217 19.8 198
  218 0.26 3
  247 9.9 99
  248 1.9 19
  262 1.3 13
  291 99.99 999
  292 23.1 231
  293 4.6 46
  306 6.6 66
  307 0.6 6
//