ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003043
RECORD_TITLE: 2,2-DICHLOROBUTANE; 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$NAME: 2,2-DICHLOROBUTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H8Cl2
CH$EXACT_MASS: 126.00031
CH$SMILES: CCC(C)(Cl)Cl
CH$IUPAC: InChI=1S/C4H8Cl2/c1-3-4(2,5)6/h3H2,1-2H3
CH$LINK: INCHIKEY BSRTYNDWQXVCKR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2063391
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: splash10-052f-9000000000-2bee803faf37e3c7d492
PK$NUM_PEAK: 81
PK$PEAK: m/z int. rel.int.
  24 0.1 1
  25 0.9 9
  26 8.7 87
  27 3.82 38
  28 8 80
  29 25 250
  30 0.5 5
  35 0.23 2
  36 5.5 55
  37 3.1 31
  38 5.4 54
  39 2.46 25
  40 2.3 23
  41 10.2 102
  42 1.4 14
  43 1.21 12
  44 0.6 6
  45 0.2 2
  47 0.7 7
  48 0.05 1
  49 6.3 63
  50 4.6 46
  51 6.7 67
  52 0.16 2
  53 9.6 96
  54 2.9 29
  55 72.4 724
  56 0.42 4
  57 0.9 9
  58 0.1 1
  59 0.2 2
  60 0.12 1
  61 13.7 137
  62 5 50
  63 15.9 159
  64 0.17 2
  65 3.6 36
  66 0.1 1
  67 0.1 1
  69 0.05 1
  70 0.5 5
  71 0.3 3
  72 0.3 3
  73 0.12 1
  74 0.2 2
  75 13.6 136
  76 1.4 14
  77 0.42 4
  78 1.6 16
  79 0.1 1
  82 0.2 2
  83 0.15 2
  84 0.2 2
  85 1 10
  86 0.1 1
  87 0.02 0
  88 0.1 1
  89 1.1 11
  90 4.9 49
  91 99.99 999
  92 6 60
  93 32 320
  94 1.4 14
  95 0.02 0
  96 12 120
  97 50.7 507
  98 8.5 85
  99 3.17 32
  100 1.9 19
  101 5.1 51
  102 0.1 1
  106 0.06 1
  107 0.1 1
  108 0.2 2
  109 0.2 2
  110 0.03 0
  111 3.6 36
  112 0.3 3
  113 2.3 23
  114 0.01 0
  115 0.4 4
//
