ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010239
RECORD_TITLE: DIMETHYL CIS-4-ACRYLOYL-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$NAME: DIMETHYL CIS-4-ACRYLOYL-4-CYCLOHEXENE-1,2-DICARBOXYLATE
CH$NAME: DIMETHYL (1R,2S)-4-ACRYLOYL-4-CYCLOHEXENE-1,2-DICARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₆O₅
CH$EXACT_MASS: 252.09977
CH$SMILES: C=CC(=O)C(=C1)CC([H])(C(=O)OC)C([H])(C1)C(=O)OC
CH$IUPAC: InChI=1S/C13H16O5/c1-4-11(14)8-5-6-9(12(15)17-2)10(7-8)13(16)18-3/h4-5,9-10H,1,6-7H2,2-3H3/t9-,10+/m1/s1
CH$LINK: INCHIKEY MFKLHWNYBKUURK-ZJUUUORDSA-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$SPLASH: splash10-0a59-7920000000-d98c0495a17dd6cfb920
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  39 6.38 64
  41 3.81 38
  43 7.56 76
  44 2.84 28
  50 3.63 36
  51 9.41 94
  52 5.05 51
  53 6.38 64
  55 66.06 661
  56 2.89 29
  59 20.77 208
  63 2.69 27
  65 2.62 26
  77 29.31 293
  78 14.06 141
  79 18.1 181
  91 8.57 86
  93 4.65 47
  103 3.5 35
  104 3.12 31
  105 15.56 156
  106 3.19 32
  107 4.65 47
  113 3.73 37
  115 6.78 68
  131 3.29 33
  132 6.54 65
  133 99.99 999
  134 12.79 128
  135 2.66 27
  137 6.1 61
  160 2.16 22
  161 4.57 46
  165 3.84 38
  166 1.85 19
  167 5.7 57
  168 15.25 153
  169 2.38 24
  177 4.43 44
  183 8.81 88
  184 1.38 14
  192 35.17 352
  193 5.98 60
  194 1.35 14
  220 17.45 175
  221 24.46 245
  222 3.13 31
  252 18.84 188
  253 2.49 25
//