MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008329
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008329
RECORD_TITLE: TETRACHLOROPHTHALIC ANHYDRIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: TETRACHLOROPHTHALIC ANHYDRIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8Cl4O3
CH$EXACT_MASS: 283.86015
CH$SMILES: O=c(o2)c(c(Cl)1)c(c(=O)2)c(Cl)c(Cl)c(Cl)1
CH$IUPAC: InChI=1S/C8Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11
CH$LINK: INCHIKEY
AUHHYELHRWCWEZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7026102
AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-0006-2490000000-9e5606a5dbd2478484c1
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
35 1.73 17
36 17.19 172
44 1.38 14
47 9.66 97
48 1.56 16
49 1.66 17
53 4.46 45
60 8.18 82
68 7.46 75
69 1.91 19
71 40.77 408
72 23.1 231
73 7.48 75
83 3.8 38
85 3.73 37
86 0.71 7
87 2.1 21
89 14.58 146
90 13.1 131
91 4.57 46
95 7.28 73
97 2 20
103 1.31 13
104 1.87 19
106 27.63 276
107 74.47 745
108 21.02 210
109 14.53 145
118 10.48 105
120 13.31 133
121 9.01 90
122 4.74 47
130 2.23 22
132 1.08 11
135 4.05 41
137 0.52 5
142 49.56 496
143 4.4 44
144 30.47 305
145 2.03 20
146 5.06 51
177 23.1 231
178 1.21 12
179 22.81 228
180 1.11 11
181 7.32 73
205 2.55 26
207 2.45 25
212 58.62 586
213 3.64 36
214 75.09 751
215 5.19 52
216 37.93 379
217 2.52 25
218 8.14 81
240 79.86 799
241 6.23 62
242 99.99 999
243 7.61 76
244 47.91 479
245 3.67 37
246 11.04 110
247 0.39 4
284 48.45 485
285 4.09 41
286 61.37 614
287 5.64 56
288 30.85 309
289 2.57 26
290 6.26 63
//