ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010354
RECORD_TITLE: METHYL 3,4,4A,5,6,7,8,8A-OCTAHYDRO-4-TRIMETHYLSILYLNAPHTHALEN-1(2H)-ONE-4-CARBOXYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 3,4,4A,5,6,7,8,8A-OCTAHYDRO-4-TRIMETHYLSILYLNAPHTHALEN-1(2H)-ONE-4-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₆O₃Si
CH$EXACT_MASS: 282.16512
CH$SMILES: COC(=O)C(C1)([Si](C)(C)C)C(C2)C(CCC2)C(=O)C1
CH$IUPAC: InChI=1S/C15H26O3Si/c1-18-14(17)15(19(2,3)4)10-9-13(16)11-7-5-6-8-12(11)15/h11-12H,5-10H2,1-4H3
CH$LINK: INCHIKEY COQGSBQFSUFWIR-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0079-8930000000-6d80489d2dfad59bbdb0
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  39 5.14 51
  41 9.44 94
  43 7.96 80
  45 24.07 241
  53 6 60
  55 11.71 117
  59 32.17 322
  67 8.07 81
  68 6.46 65
  73 99.99 999
  74 11.51 115
  75 16.68 167
  77 7.24 72
  79 16.32 163
  80 5.82 58
  81 6.36 64
  89 49.94 499
  91 16.24 162
  93 8.96 90
  94 5.24 52
  105 7.42 74
  107 20.62 206
  108 17.48 175
  121 8.59 86
  122 21.95 220
  123 5.07 51
  133 13.11 131
  135 88.81 888
  136 26.65 267
  149 21.66 217
  150 18.49 185
  159 11.05 111
  161 11.09 111
  172 5.66 57
  177 8.03 80
  178 82.97 830
  179 11.56 116
  226 6.82 68
  239 28.92 289
  240 6.58 66
  251 7.7 77
  267 10.57 106
  282 55.64 556
  283 14.41 144
//