MassBank Record: MSBNK-MSSJ-MSJ01058
ACCESSION: MSBNK-MSSJ-MSJ01058
RECORD_TITLE: gamma-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$NAME: gamma-BHC
CH$NAME: (1a,2a,3b,4a,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: [C@@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@@H]1Cl)Cl)Cl)Cl)Cl)Cl
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
10481896
CH$LINK: INCHIKEY
JLYXXMFPNIAWKQ-GNIYUCBRSA-N
CH$LINK: COMPTOX
DTXSID2020686
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$CHROMATOGRAPHY: RETENTION_TIME 8.06 min
MS$FOCUSED_ION: ION_TYPE [M]+*
MS$FOCUSED_ION: PRECURSOR_M/Z 287.86
PK$SPLASH: splash10-00o0-4930000000-75eb17ef01463cc739eb
PK$NUM_PEAK: 118
PK$PEAK: m/z int. rel.int.
40 8 8
47 9 9
48 10 10
49 14 14
50 235 235
51 406 406
52 94 94
53 15 15
54 7 7
55 41 41
56 58 58
57 18 18
60 19 19
61 92 92
62 30 30
63 74 74
64 11 11
65 13 13
72 23 23
73 204 204
74 144 144
75 332 332
76 66 66
77 581 581
78 415 415
79 23 23
83 215 215
84 23 23
85 272 272
86 41 41
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88 19 19
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92 7 7
95 19 19
96 100 100
97 29 29
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100 25 25
101 26 26
102 6 6
107 11 11
108 9 9
109 378 378
110 43 43
111 969 969
112 265 265
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114 93 93
115 44 44
119 17 17
120 11 11
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125 19 19
126 10 10
131 15 15
133 60 60
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146 242 242
147 678 678
148 204 204
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151 50 50
152 5 5
155 6 6
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255 10 10
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257 5 5
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288 19 19
290 26 26
292 26 26
294 9 9
//
system version 2.2.6-SNAPSHOT