ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009810
RECORD_TITLE: METHYL 2,4-DICHLORO-3-METHYLENEBUTYRATE; 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$NAME: METHYL 2,4-DICHLORO-3-METHYLENEBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₈Cl₂O₂
CH$EXACT_MASS: 181.99013
CH$SMILES: COC(=O)C(Cl)C(=C)CCl
CH$IUPAC: InChI=1S/C6H8Cl2O2/c1-4(3-7)5(8)6(9)10-2/h5H,1,3H2,2H3
CH$LINK: INCHIKEY YRNAQLFSLJHQFK-UHFFFAOYSA-N

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$SPLASH: splash10-0002-9800000000-63f3ce89d7ca81b018b9
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  27 9.5 95
  29 3.6 36
  36 8.7 87
  38 1.07 11
  39 14.9 149
  41 3.4 34
  42 6.5 65
  43 0.74 7
  44 1.6 16
  45 5.2 52
  49 6.5 65
  50 0.87 9
  51 24.8 248
  52 7.2 72
  53 31.6 316
  54 0.72 7
  55 6.8 68
  58 1.2 12
  59 60.4 604
  61 0.74 7
  67 9.4 94
  73 8.8 88
  75 4.5 45
  81 0.79 8
  82 6.9 69
  83 5.1 51
  87 36.2 362
  88 1.98 20
  89 18.2 182
  90 7.9 79
  91 9.7 97
  108 0.74 7
  111 5.6 56
  112 7.8 78
  113 10.1 101
  115 0.58 6
  116 10.4 104
  117 18.2 182
  118 5.2 52
  119 0.74 7
  123 29.1 291
  125 20.8 208
  131 3.9 39
  146 0.7 7
  147 99.99 999
  148 15.5 155
  149 36.4 364
  150 0.75 8
  151 5.5 55
  153 4 40
  182 4.3 43
//