ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010325
RECORD_TITLE: ALPHA,ALPHA-DICHLOROTOLUENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ALPHA,ALPHA-DICHLOROTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₆Cl₂
CH$EXACT_MASS: 159.98466
CH$SMILES: c(c1)ccc(c1)C(Cl)Cl
CH$IUPAC: InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
CH$LINK: INCHIKEY CAHQGWAXKLQREW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6025014

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-004i-8900000000-4e8eb144c326b40701da
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  26 3.27 33
  27 2.93 29
  35 2.76 28
  37 3.37 34
  38 6.04 60
  39 12.14 121
  40 1.18 12
  43 1.3 13
  44 2.04 20
  45 2.53 25
  49 1.81 18
  50 9.09 91
  51 8.3 83
  52 1.38 14
  61 4.25 43
  62 11.24 112
  63 19.98 200
  64 3.65 37
  65 3.65 37
  73 4.26 43
  74 1.58 16
  75 2.33 23
  77 1.07 11
  85 1.3 13
  86 2.17 22
  87 1.8 18
  89 22.86 229
  90 6.29 63
  91 11.28 113
  97 1.49 15
  99 6.18 62
  101 1.84 18
  125 99.99 999
  126 10.1 101
  127 31.61 316
  128 3.35 34
  159 1.01 10
  160 10.84 108
  161 1.47 15
  162 7.16 72
  164 1.14 11
//