ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007465
RECORD_TITLE: 4-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$NAME: 4-PHENYLBUTYRIC ACID TRIMETHYLSILYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₀O₂Si
CH$EXACT_MASS: 236.12326
CH$SMILES: O=C(CCCc(c1)cccc1)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C13H20O2Si/c1-16(2,3)15-13(14)11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
CH$LINK: INCHIKEY ZYYPVAODSQWOQR-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$SPLASH: splash10-01di-8930000000-d847ec0a0d973cf58f18
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  43 5.5 55
  45 6.5 65
  47 6.5 65
  50 0.09 1
  51 2.9 29
  52 0.5 5
  55 4.9 49
  58 0.15 2
  59 1.1 11
  60 0.7 7
  61 4.9 49
  63 0.11 1
  65 6.7 67
  72 5.9 59
  73 27.9 279
  74 0.39 4
  75 85.8 858
  76 6.3 63
  77 7.5 75
  78 0.17 2
  79 1.3 13
  88 0.7 7
  89 1.5 15
  90 0.13 1
  91 20.1 201
  92 1.3 13
  101 0.9 9
  103 0.15 2
  104 23.5 235
  105 4.9 49
  111 1.3 13
  115 0.23 2
  116 6.9 69
  117 99.99 999
  118 11.5 115
  119 0.41 4
  129 4.1 41
  130 0.9 9
  132 19.1 191
  133 0.19 2
  134 0.7 7
  145 0.7 7
  146 26.5 265
  147 0.35 4
  203 5.7 57
  204 0.7 7
  221 39.1 391
  222 0.69 7
  223 1.9 19
  236 16.5 165
  237 3.1 31
//