ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010245
RECORD_TITLE: DIMETHYL TRANS-4-((E)-CROTONOYL)-4-CYCLOHEXENE-1,2-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$NAME: DIMETHYL TRANS-4-((E)-CROTONOYL)-4-CYCLOHEXENE-1,2-DICARBOXYLATE
CH$NAME: DIMETHYL (1S,2S)-4-((E)-CROTONOYL)-4-CYCLOHEXENE-1,2-DICARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₈O₅
CH$EXACT_MASS: 266.11542
CH$SMILES: CC=CC(=O)C(=C1)CC([H])(C(=O)OC)C([H])(C1)C(=O)OC
CH$IUPAC: InChI=1S/C14H18O5/c1-4-5-12(15)9-6-7-10(13(16)18-2)11(8-9)14(17)19-3/h4-6,10-11H,7-8H2,1-3H3/b5-4+/t10-,11-/m0/s1
CH$LINK: INCHIKEY IXNYYJARHNGRSX-NNOMMRTBSA-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$SPLASH: splash10-0694-9300000000-959f9ce06358f442b21c
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  38 45.9 459
  39 6.42 64
  40 66.61 666
  41 3.68 37
  51 11.44 114
  52 9.15 92
  53 9.89 99
  55 6.35 64
  59 63.5 635
  65 5.44 54
  68 5.11 51
  69 99.99 999
  70 4.04 40
  77 47.16 472
  78 22.01 220
  79 26.74 267
  91 16.64 166
  93 5.01 50
  103 3.71 37
  105 15.92 159
  106 3.71 37
  107 7.51 75
  115 4.9 49
  117 5.53 55
  119 4.67 47
  129 8.68 87
  131 4.08 41
  133 4.94 49
  137 5.71 57
  138 1.53 15
  145 4.41 44
  146 4.42 44
  147 52.01 520
  148 8.24 82
  149 1.86 19
  163 1.21 12
  165 1.06 11
  174 1.11 11
  175 1.54 15
  191 6.6 66
  205 1.24 12
  206 13.42 134
  207 4.48 45
  234 6.2 62
  235 4.29 43
  267 2.31 23
//