MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002897
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002897
RECORD_TITLE: TETRACHLOROPHTHALIC ANHYDRIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-2490000000-f68f6569d1ea3670fbf2
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
36 17.19 172
47 9.66 97
53 4.46 45
60 8.18 82
68 7.46 75
71 40.77 408
72 23.1 231
73 7.48 75
83 3.8 38
85 3.73 37
87 2.1 21
89 14.58 146
90 13.1 131
91 4.57 46
95 7.28 73
97 2 20
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
135 4.05 41
142 49.56 496
143 4.4 44
144 30.47 305
145 2.03 20
146 5.06 51
177 23.1 231
179 22.81 228
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
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
//