MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003627
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003627
RECORD_TITLE: HEXACHLOROBENZENE; 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$NAME: HEXACHLOROBENZENE
CH$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$LINK: INCHIKEY
CKAPSXZOOQJIBF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2020682
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: splash10-0019-1390000000-e4057ffa68f36abf1e5c
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
35 12.5 125
36 14.2 142
37 4 40
47 1.25 13
48 2 20
49 4.3 43
60 6.5 65
71 1.6 16
72 9.2 92
73 5 50
83 3 30
95 0.55 6
106 9.3 93
107 20 200
108 7 70
109 0.5 5
118 7.2 72
120 4.9 49
141 6 60
142 2.99 30
143 9 90
144 16.3 163
145 2.5 25
146 0.2 2
177 8 80
179 8 80
181 2.5 25
214 1.1 11
216 15 150
218 8.6 86
220 2 20
247 1.53 15
249 23.7 237
250 3 30
251 15 150
253 5 50
282 4.15 42
284 99.99 999
285 8.8 88
286 79.6 796
287 0.6 6
288 34 340
289 3 30
290 8 80
//