ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006064
RECORD_TITLE: ALPHA,ALPHA,ALPHA-TRICHLOROTOLUENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0bt9-0900000000-b8f71a654a45204fa3c0
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  89 4.79 48
  123 3.08 31
  124 3.19 32
  125 1.53 15
  126 1.08 11
  159 99.99 999
  160 8.25 83
  161 66.26 663
  162 5.42 54
  163 10.64 106
  195 0.35 4
  196 4.11 41
  197 0.35 4
  198 1.22 12
  199 0.12 1
  200 0.14 1
//