ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010241
RECORD_TITLE: DIMETHYL TRANS-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$NAME: DIMETHYL TRANS-4-ACRYLOYL-4-CYCLOHEXENE-1,2-DICARBOXYLATE
CH$NAME: DIMETHYL (1S,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$IUPAC: InChI=1S/C13H16O5/c1-4-11(14)8-5-6-9(12(15)17-2)10(7-8)13(16)18-3/h4-5,9-10H,1,6-7H2,2-3H3/t9-,10-/m0/s1
CH$LINK: INCHIKEY MFKLHWNYBKUURK-UWVGGRQHSA-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$SPLASH: splash10-008c-0920000000-6120df7a010970f12ab5
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  55 7.33 73
  59 1.76 18
  77 3.72 37
  79 1.4 14
  91 1.64 16
  93 1.33 13
  103 1.28 13
  105 4.03 40
  115 1.7 17
  131 1.19 12
  132 3.26 33
  133 99.99 999
  134 10.7 107
  135 1.51 15
  137 5.11 51
  138 1.15 12
  160 4.29 43
  161 7.45 75
  165 2.11 21
  177 5.3 53
  192 83.2 832
  193 15.69 157
  194 2.02 20
  220 53.5 535
  221 23.12 231
  222 3.74 37
  253 2.36 24
//