ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010247
RECORD_TITLE: DIMETHYL (3R*,3AS*,5S*,6S*)-3-METHYL-2,3,3A,4,5,6-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$NAME: DIMETHYL (3R*,3AS*,5S*,6S*)-3-METHYL-2,3,3A,4,5,6-HEXAHYDROINDEN-1(H)-ONE-5,6-DICARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₈O₅
CH$EXACT_MASS: 266.11542
CH$SMILES: COC(=O)C(C=1)C(C(=O)OC)CC([H])(C(C)2)C(C(=O)C2)1
CH$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/h6-8,10-11H,4-5H2,1-3H3/t7-,8+,10+,11+/m1/s1
CH$LINK: INCHIKEY MTNVPZYSZWWXDP-IFFSRLJSSA-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$SPLASH: splash10-0a6r-9400000000-cd08b2ec3aa93fe7f803
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  38 17.05 171
  40 23.42 234
  41 11.37 114
  42 7.22 72
  51 12.24 122
  52 9.2 92
  53 6.73 67
  55 6.59 66
  59 99.99 999
  63 4.82 48
  65 10.61 106
  66 6.28 63
  69 5.41 54
  76 4.25 43
  77 46.9 469
  78 38.01 380
  79 19.25 193
  91 35.26 353
  92 6.27 63
  93 11.27 113
  94 4.08 41
  103 11.11 111
  104 5.9 59
  105 58.57 586
  106 13.2 132
  115 4.46 45
  119 11.65 117
  131 6.78 68
  133 6.98 70
  136 7.8 78
  137 6.56 66
  145 1.51 15
  147 2.46 25
  148 27.06 271
  149 5.24 52
  150 4.62 46
  163 4.51 45
  164 7.9 79
  165 5.38 54
  166 1.46 15
  175 1.5 15
  177 1.35 14
  191 2.43 24
  206 13.43 134
  207 6.1 61
  234 4.6 46
  235 2.92 29
  266 3 30
  267 1.4 14
//

MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010247

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