MassBank Record: MSBNK-MSSJ-MSJ01059
ACCESSION: MSBNK-MSSJ-MSJ01059
RECORD_TITLE: delta-BHC; GC-EI-Q; MS; Positive
DATE: 2017.07.13 (Created 2016.12.21)
AUTHORS: Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data
CH$NAME: delta-BHC
CH$NAME: (1a,2a,3a,4b,5a,6b)-1,2,3,4,5,6-Hexachlorocyclohexane
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C6H6Cl6
CH$EXACT_MASS: 287.86007
CH$SMILES: Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H]1Cl
CH$IUPAC: InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5-,6-
CH$LINK: CHEMSPIDER
10430682
CH$LINK: INCHIKEY
JLYXXMFPNIAWKQ-GPIVLXJGSA-N
CH$LINK: COMPTOX
DTXSID5024134
AC$INSTRUMENT: GCMS-QP2010 Plus, Shimadzu
AC$INSTRUMENT_TYPE: GC-EI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION EI
AC$CHROMATOGRAPHY: COLUMN_NAME Ptx-5MS(RESTEK), 0.32 mm I.D. x 30 m, df=0.25 microm
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 80 C (1 min)-20 C/min - 180 C - 5 C/min - 330C (10 min)
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 260 C
AC$CHROMATOGRAPHY: RETENTION_TIME 8.62 min
MS$FOCUSED_ION: ION_TYPE [M]+*
MS$FOCUSED_ION: PRECURSOR_M/Z 287.86
PK$SPLASH: splash10-00lr-4930000000-1c15df25270620189e20
PK$NUM_PEAK: 114
PK$PEAK: m/z int. rel.int.
40 8 8
43 13 13
47 18 18
48 13 13
49 108 108
50 270 270
51 453 453
52 84 84
53 10 10
54 10 10
55 35 35
56 62 62
57 21 21
60 23 23
61 113 113
62 47 47
63 74 74
64 8 8
65 12 12
71 5 5
72 23 23
73 247 247
74 165 165
75 356 356
76 52 52
77 586 586
78 395 395
79 25 25
83 274 274
84 34 34
85 333 333
86 50 50
87 217 217
88 23 23
89 43 43
90 13 13
91 9 9
92 6 6
95 21 21
96 96 96
97 33 33
98 68 68
99 80 80
100 27 27
101 29 29
102 7 7
107 17 17
108 10 10
109 354 354
110 53 53
111 988 988
112 354 354
113 349 349
114 101 101
115 40 40
117 8 8
119 21 21
120 7 7
121 183 183
122 151 151
123 105 105
124 90 90
125 20 20
126 16 16
131 17 17
133 71 71
134 44 44
135 81 81
136 23 23
137 27 27
138 5 5
143 94 94
144 13 13
145 307 307
146 258 258
147 590 590
148 208 208
149 308 308
150 55 55
151 44 44
152 5 5
155 10 10
156 132 132
157 66 66
158 122 122
159 59 59
160 39 39
161 12 12
168 8 8
169 27 27
170 5 5
171 21 21
173 5 5
180 20 20
181 999 999
182 94 94
183 988 988
184 92 92
185 322 322
186 33 33
187 39 39
216 158 158
217 711 711
218 276 276
219 903 903
220 177 177
221 440 440
222 54 54
223 101 101
224 10 10
252 53 53
254 88 88
256 28 28
258 16 16
//