MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011076
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011076
RECORD_TITLE: TETRACHLORO-1,2-BENZOQUINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: TETRACHLORO-1,2-BENZOQUINONE
CH$NAME: ORTHO-CHLORANIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6Cl4O2
CH$EXACT_MASS: 243.86524
CH$SMILES: O=c(c(=O)1)c(Cl)c(Cl)c(Cl)c(Cl)1
CH$IUPAC: InChI=1S/C6Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9
CH$LINK: CAS
2435-53-2
CH$LINK: INCHIKEY
VRGCYEIGVVTZCC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90883844
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000m-5490000000-5561c32427fd0bdfbbea
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
24 1.75 18
35 6.48 65
36 3.27 33
37 1.99 20
47 12.53 125
48 3.14 31
49 4.05 41
52 4.5 45
59 8.02 80
60 2.17 22
61 2.9 29
63 4.34 43
65 1.43 14
71 4.68 47
73 1.45 15
83 8.59 86
85 2.71 27
87 99.99 999
88 3.33 33
89 32.04 320
90 1.04 10
95 3.62 36
96 16.19 162
97 1.22 12
98 2.56 26
106 1.79 18
108 1.12 11
111 3.88 39
113 1.26 13
118 19.93 199
120 13.36 134
122 9.62 96
124 4.77 48
130 1.39 14
153 12.69 127
155 12.29 123
157 4.75 48
159 1.13 11
165 1.72 17
167 1.6 16
181 19.52 195
182 1.13 11
183 18.8 188
184 1.08 11
185 6.15 62
188 23.7 237
189 1.07 11
190 30.73 307
191 1.4 14
192 15.02 150
194 3.13 31
209 42.53 425
210 2.87 29
211 40.74 407
212 3.01 30
213 13.29 133
214 1.24 12
215 1.54 15
216 24.98 250
217 1.4 14
218 31.3 313
219 1.7 17
220 15.16 152
222 3.27 33
235 1.72 17
237 2.76 28
238 1.11 11
239 1.82 18
244 60.34 603
245 4.23 42
246 78.9 789
247 5.41 54
248 38.46 385
249 2.71 27
250 8.46 85
//