ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010743
RECORD_TITLE: CHLOROTHALONIL; 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$NAME: CHLOROTHALONIL
CH$NAME: TETRACHLOROISOPHTHALONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈Cl₄N₂
CH$EXACT_MASS: 263.88156
CH$SMILES: N#Cc(c(Cl)1)c(Cl)c(Cl)c(Cl)c(C#N)1
CH$IUPAC: InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14
CH$LINK: INCHIKEY CRQQGFGUEAVUIL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0020319

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$SPLASH: splash10-014i-0090000000-c13c2c427c94452afe96
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  84 1.33 13
  109 1.59 16
  133 1.21 12
  144 1.39 14
  146 1.01 10
  168 6.38 64
  170 4.59 46
  172 1.02 10
  179 1.41 14
  181 1.15 12
  194 6.95 70
  196 4.67 47
  203 1.89 19
  205 1.72 17
  229 11.57 116
  230 1.14 11
  231 10.21 102
  233 3.64 36
  264 77.29 773
  265 7.25 73
  266 99.99 999
  267 10.13 101
  268 48.47 485
  269 4.79 48
  270 10.27 103
  271 1.07 11
//