MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011624
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011624
RECORD_TITLE: HEXACHLOROBENZENE; 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$NAME: HEXACHLOROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6Cl6
CH$EXACT_MASS: 281.81312
CH$SMILES: Clc(c(Cl)1)c(Cl)c(Cl)c(Cl)c(Cl)1
CH$IUPAC: InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9
CH$LINK: CAS
118-74-1
CH$LINK: INCHIKEY
CKAPSXZOOQJIBF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2020682
AC$INSTRUMENT: HITACHI M-2500
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: splash10-001r-0290000000-be7d6414f99da634dbcc
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
35 2.3 23
36 3.17 32
47 3.45 35
49 1.07 11
60 2.27 23
71 6.12 61
72 2.98 30
73 1.64 16
83 1.39 14
88 1.18 12
89 1.18 12
94 1.32 13
95 3.71 37
97 1.15 12
106 5.46 55
107 11.67 117
108 3.95 40
109 3.42 34
118 4.96 50
120 3.31 33
130 1.71 17
132 1.14 11
141 3.97 40
142 21.92 219
143 6.1 61
144 12.18 122
145 1.37 14
146 1.79 18
165 1.05 11
167 1.05 11
177 7.31 73
179 7.16 72
181 2.29 23
212 10.9 109
214 13.95 140
215 1 10
216 6.91 69
218 1.49 15
247 13.85 139
248 1.24 12
249 23.66 237
250 2.02 20
251 14.14 141
252 1.27 13
253 4.65 47
282 53.02 530
283 3.52 35
284 99.99 999
285 6.59 66
286 80.06 801
287 5.28 53
288 35.21 352
290 8.25 83
292 1.04 10
//