ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003042
RECORD_TITLE: 1,2-DICHLOROBUT-3-ENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 1,2-DICHLOROBUT-3-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₆Cl₂
CH$EXACT_MASS: 123.98466
CH$SMILES: C=CC(Cl)CCl
CH$IUPAC: InChI=1S/C4H6Cl2/c1-2-4(6)3-5/h2,4H,1,3H2
CH$LINK: INCHIKEY XVEASTGLHPVZNA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8022113

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004r-9000000000-629b5ee220c7b5736161
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  25 1.1 11
  26 9 90
  27 35.3 353
  28 0.77 8
  29 1.6 16
  35 1.1 11
  36 4.5 45
  37 0.28 3
  38 4.8 48
  39 39.8 398
  40 1.9 19
  41 0.35 4
  42 2 20
  43 2.7 27
  44 0.9 9
  47 0.07 1
  48 0.9 9
  49 12.5 125
  50 9.1 91
  51 1.71 17
  52 4 40
  53 38.7 387
  54 8 80
  55 0.45 5
  56 0.8 8
  57 2.5 25
  60 0.8 8
  61 0.43 4
  62 10.2 102
  63 2.8 28
  64 3.4 34
  65 0.06 1
  67 1.2 12
  69 2.6 26
  70 0.6 6
  71 0.13 1
  73 1.4 14
  75 99.99 999
  76 3.3 33
  77 0.33 3
  78 1.3 13
  81 2 20
  83 1.9 19
  85 0.08 1
  87 3.6 36
  88 18.2 182
  89 47.7 477
  90 0.08 1
  91 15.9 159
  92 0.9 9
  95 2 20
  97 0.15 2
  99 0.2 2
  109 1.7 17
  111 1.2 12
  113 0.02 0
  124 5.1 51
  126 2.4 24
  128 0.6 6
//