ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001029
RECORD_TITLE: ALPHA-PHENYLBUTYRIC 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$NAME: ALPHA-PHENYLBUTYRIC ACID TRIMETHYLSILYL ESTER
CH$NAME: TRIMETHYLSILYL 2-PHENYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₀O₂Si
CH$EXACT_MASS: 236.12326
CH$SMILES: CCC(c(c1)cccc1)C(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C13H20O2Si/c1-5-12(11-9-7-6-8-10-11)13(14)15-16(2,3)4/h6-10,12H,5H2,1-4H3
CH$LINK: INCHIKEY VYKUZPWIVBWKQA-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$SPLASH: splash10-00di-9200000000-b25f329bfc8f050a0af4
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  44 1.5 15
  45 8.2 82
  47 4.1 41
  51 0.23 2
  61 2.5 25
  65 2.1 21
  72 1.9 19
  73 99.99 999
  74 13.1 131
  75 34.4 344
  76 2.7 27
  77 0.68 7
  78 2.1 21
  89 2.1 21
  90 2.3 23
  91 1.4 14
  103 2.1 21
  105 2.1 21
  115 2.5 25
  117 0.6 6
  118 29.3 293
  119 4.1 41
  192 8.4 84
  221 7.2 72
//