MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010743
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
//