ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010244
RECORD_TITLE: DIMETHYL CIS-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$NAME: DIMETHYL CIS-4-((E)-CROTONOYL)-4-CYCLOHEXENE-1,2-DICARBOXYLATE
CH$NAME: DIMETHYL (1R,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-BXXZLRJFSA-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$SPLASH: splash10-00kb-9870000000-b11f292271a407396edc
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  40 7.62 76
  42 19.33 193
  44 10.32 103
  47 3.71 37
  55 4.25 43
  57 7.76 78
  58 3.7 37
  59 8.96 90
  69 51.21 512
  77 11.44 114
  78 5.11 51
  79 7.52 75
  84 18.26 183
  86 12.88 129
  91 7.12 71
  106 9.73 97
  119 4.72 47
  129 6.37 64
  131 3.55 36
  133 3.17 32
  137 4.3 43
  145 4.21 42
  146 7.2 72
  148 99.99 999
  149 12.65 127
  175 3.45 35
  191 8.28 83
  206 27.31 273
  207 14.11 141
  234 8.91 89
  235 27.62 276
  236 4.56 46
  266 51.58 516
  267 7.71 77
//