ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010246
RECORD_TITLE: DIMETHYL (3R*,5S*,6R*)-3-METHYL-2,3,4,5,6,7-HEXAHYDROINDEN-1(H)-ONE-5,6-DICARBOXYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL (3R*,5S*,6R*)-3-METHYL-2,3,4,5,6,7-HEXAHYDROINDEN-1(H)-ONE-5,6-DICARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₈O₅
CH$EXACT_MASS: 266.11542
CH$SMILES: COC(=O)C(C1)C(C(=O)OC)CC(C(=O)2)=C(C(C)C2)1
CH$IUPAC: InChI=1S/C14H18O5/c1-7-4-12(15)9-6-11(14(17)19-3)10(5-8(7)9)13(16)18-2/h7,10-11H,4-6H2,1-3H3/t7-,10+,11-/m1/s1
CH$LINK: INCHIKEY AMUQJUSLJOGVMP-PPKCKEKNSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4j-5910000000-250f6572bc8b2c39932b
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  39 10.98 110
  41 12.71 127
  43 4.71 47
  51 8.15 82
  52 4.22 42
  53 5.32 53
  55 5.14 51
  59 30.69 307
  65 8.93 89
  66 3.95 40
  77 31.25 313
  78 13.79 138
  79 16.38 164
  91 42.12 421
  92 6.2 62
  93 5.1 51
  103 14.01 140
  104 7.2 72
  105 66.15 662
  106 7.6 76
  116 9.55 96
  117 9.74 97
  118 9.42 94
  119 20.43 204
  120 4.86 49
  129 8.41 84
  131 10.34 103
  133 13.1 131
  145 4.06 41
  147 12.22 122
  148 99.99 999
  149 16.9 169
  150 6.06 61
  157 1.53 15
  161 2.31 23
  163 2.97 30
  165 1.51 15
  173 1.09 11
  174 1.61 16
  175 2.29 23
  177 1.47 15
  178 2.96 30
  179 1.19 12
  191 4.7 47
  205 2.33 23
  206 21.16 212
  207 21.06 211
  208 2.35 24
  234 1.66 17
  235 6.44 64
  236 1.38 14
  266 7.61 76
//

MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010246

**DIMETHYL (3R,5S,6R*)-3-METHYL-2,3,4,5,6,7-HEXAHYDROINDEN-1(H)-ONE-5,6-DICARBOXYLATE; EI-B; MS**