ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009386
RECORD_TITLE: ALPHA,ALPHA,ALPHA-TRICHLOROTOLUENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ALPHA,ALPHA,ALPHA-TRICHLOROTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅Cl₃
CH$EXACT_MASS: 193.94568
CH$SMILES: c(c1)ccc(c1)C(Cl)(Cl)Cl
CH$IUPAC: InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
CH$LINK: INCHIKEY XEMRAKSQROQPBR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1020148

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$SPLASH: splash10-08fr-7900000000-4bc1c2ead3b82090149d
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  26 3.5 35
  27 2.84 28
  35 4.56 46
  36 1.52 15
  37 4.6 46
  38 5.15 52
  39 11.58 116
  43 2.53 25
  44 3.3 33
  47 1.78 18
  49 2.86 29
  50 10.02 100
  51 7.68 77
  60 1.72 17
  61 7.47 75
  62 13.42 134
  63 17.45 175
  64 1.12 11
  72 2.71 27
  73 5.89 59
  74 2.57 26
  75 2.74 27
  77 2.36 24
  80 3.9 39
  81 2.49 25
  84 2.05 21
  85 2.89 29
  86 3.49 35
  87 3.74 37
  88 1.33 13
  89 25.75 258
  90 1.97 20
  96 1.23 12
  97 4.29 43
  99 3.51 35
  105 1.14 11
  107 1.08 11
  123 8.51 85
  124 6.62 66
  125 3.38 34
  126 2.15 22
  133 2.12 21
  135 1.28 13
  159 99.99 999
  160 7.94 79
  161 64.4 644
  162 5.05 51
  163 10.56 106
  194 2.92 29
  196 2.8 28
//