ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010356
RECORD_TITLE: METHYL 2-METHYL-4-OXO-TRICYCLO(5,3,0,0(5,10))DECANE-1-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$NAME: METHYL 2-METHYL-4-OXO-TRICYCLO(5,3,0,0(5,10))DECANE-1-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈O₃
CH$EXACT_MASS: 222.12559
CH$SMILES: COC(=O)C(C(C)2)(C31)C(CC3)C(C(=O)C2)C1
CH$IUPAC: InChI=1S/C13H18O3/c1-7-5-11(14)9-6-8-3-4-10(9)13(7,8)12(15)16-2/h7-10H,3-6H2,1-2H3
CH$LINK: INCHIKEY JSOADSOCTCJGRD-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$SPLASH: splash10-0006-5900000000-7e6ad9fbdc684d9c5e28
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  39 26.4 264
  41 36.89 369
  43 10.38 104
  51 10.27 103
  52 6.32 63
  53 17.99 180
  55 22.06 221
  59 17.59 176
  65 16.41 164
  66 7.65 77
  67 17.16 172
  69 9.61 96
  77 28.74 287
  78 11.55 116
  79 37.8 378
  80 8.82 88
  81 17.65 177
  91 44.14 441
  92 20.62 206
  93 36.66 367
  94 7.04 70
  105 36.92 369
  106 9.93 99
  107 11.57 116
  108 6.29 63
  109 10.95 110
  119 25.34 253
  120 4.14 41
  121 49.93 499
  122 7.47 75
  133 19.34 193
  134 12.79 128
  135 20.14 201
  137 6.49 65
  145 7.31 73
  147 15.39 154
  148 63.09 631
  149 17.26 173
  151 6.36 64
  152 0.74 7
  161 5.55 56
  162 21.48 215
  163 35.63 356
  164 5.01 50
  165 15.46 155
  166 6.67 67
  179 15.41 154
  180 61.44 614
  181 8.76 88
  190 14.82 148
  191 22.09 221
  194 99.99 999
  195 15.51 155
  222 27.83 278
  223 6.58 66
//