ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007472
RECORD_TITLE: 5-OXOHEXANOIC 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$NAME: 5-OXOHEXANOIC ACID TRIMETHYLSILYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₃Si
CH$EXACT_MASS: 202.10252
CH$SMILES: CC(=O)CCCC(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C9H18O3Si/c1-8(10)6-5-7-9(11)12-13(2,3)4/h5-7H2,1-4H3
CH$LINK: INCHIKEY PXSCQEMSXNKQJK-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$SPLASH: splash10-004m-8900000000-de9151c136c1eac97983
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  42 1.3 13
  43 63 630
  44 2.9 29
  45 1.11 11
  47 11.8 118
  55 50.2 502
  56 1.2 12
  57 0.29 3
  58 4.5 45
  59 2.7 27
  61 7.7 77
  67 0.15 2
  69 5.2 52
  71 2.5 25
  72 7.7 77
  73 5.29 53
  74 5.2 52
  75 99.99 999
  76 7.5 75
  77 0.52 5
  84 17.1 171
  85 5.4 54
  97 2.7 27
  99 0.22 2
  101 2.5 25
  112 51.3 513
  113 6.3 63
  115 1.32 13
  116 6.1 61
  117 40.8 408
  118 4.1 41
  119 0.2 2
  129 22.9 229
  130 5.7 57
  131 2.2 22
  132 0.91 9
  133 1.5 15
  143 3.1 31
  145 94.9 949
  146 1.14 11
  147 5 50
  159 8.2 82
  160 3.4 34
  169 0.41 4
  186 2.2 22
  187 38.3 383
  188 3.8 38
  189 0.18 2
  202 3.8 38
//