ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010917
RECORD_TITLE: METHYL 2-CHLORO-3-METHYL-3-BUTENOATE; 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$NAME: METHYL 2-CHLORO-3-METHYL-3-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₉ClO₂
CH$EXACT_MASS: 148.02911
CH$SMILES: COC(=O)C(Cl)C(C)=C
CH$IUPAC: InChI=1S/C6H9ClO2/c1-4(2)5(7)6(8)9-3/h5H,1H2,2-3H3
CH$LINK: INCHIKEY FZUVHZZZCYKCFI-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$SPLASH: splash10-0i00-7900000000-71574d9f6da44138fb70
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  26 0.8 8
  27 7.7 77
  29 2.6 26
  30 0.4 4
  31 0.7 7
  36 0.6 6
  37 0.7 7
  38 1.4 14
  39 11.7 117
  40 0.5 5
  41 6.4 64
  42 2.6 26
  43 5.3 53
  44 0.2 2
  45 1.3 13
  49 1.7 17
  50 4 40
  51 7.9 79
  52 3.3 33
  53 54.7 547
  54 5.3 53
  55 5.2 52
  56 0.6 6
  57 0.9 9
  58 2.7 27
  59 23.9 239
  60 0.6 6
  61 1.4 14
  62 0.5 5
  63 2.6 26
  65 0.5 5
  66 0.4 4
  67 5.5 55
  69 3.9 39
  71 1.2 12
  72 0.5 5
  73 12.4 124
  74 1.1 11
  75 1.2 12
  76 1.5 15
  81 7.3 73
  82 5.1 51
  83 4.6 46
  85 4.1 41
  87 2.9 29
  88 10.3 103
  89 36.8 368
  90 5.4 54
  91 11.9 119
  97 2.8 28
  105 1.7 17
  108 1.1 11
  112 0.7 7
  113 99.99 999
  114 11.7 117
  115 2.7 27
  116 43.8 438
  117 53 530
  118 20.1 201
  119 18.3 183
  133 3.5 35
  135 1.1 11
  148 44.8 448
  150 15.7 157
//