ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009911
RECORD_TITLE: METHYL 2,2-DIMETHYL-3-(2,2-DICHLOROETHENYL)CYCLOPROPANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 2,2-DIMETHYL-3-(2,2-DICHLOROETHENYL)CYCLOPROPANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂Cl₂O₂
CH$EXACT_MASS: 222.02144
CH$SMILES: COC(=O)C(C(C=C(Cl)Cl)1)C(C)(C)1
CH$IUPAC: InChI=1S/C9H12Cl2O2/c1-9(2)5(4-6(10)11)7(9)8(12)13-3/h4-5,7H,1-3H3
CH$LINK: INCHIKEY QJOOIMSFFIUFKX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0028113

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03g3-8900000000-dff0bb459c45d92cad23
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  27 10.6 106
  29 3.3 33
  36 4 40
  38 5 50
  39 25 250
  41 20.8 208
  43 11.6 116
  50 6.7 67
  51 8 80
  52 20.8 208
  53 14 140
  55 6 60
  61 41.3 413
  63 9.8 98
  65 12.8 128
  67 7.5 75
  73 42.3 423
  75 11.8 118
  77 25.3 253
  79 8.5 85
  81 5 50
  83 7.7 77
  85 14.2 142
  87 5.7 57
  89 5.7 57
  91 96.4 964
  92 12.6 126
  93 10.8 108
  95 5 50
  99 4.8 48
  109 17 170
  111 14.8 148
  112 3.2 32
  113 14.8 148
  114 2 20
  121 5 50
  123 5.8 58
  125 6 60
  127 63.4 634
  128 14.5 145
  129 22 220
  130 4.3 43
  139 6.8 68
  145 3.8 38
  149 6.8 68
  151 5 50
  152 5 50
  163 99.99 999
  164 7.8 78
  165 62.7 627
  166 5 50
  167 5.3 53
  179 3.2 32
  187 70.7 707
  188 6.8 68
  189 23.2 232
  191 13.5 135
  193 3 30
  222 3.8 38
//