MassBank Record: MSJ01054



 d-alpha-BHC; GC-EI-Q; MS; Positive 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MSJ01054
RECORD_TITLE: d-alpha-BHC; GC-EI-Q; MS; Positive
DATE: 2017.07.13 (2016.12.21)
AUTHORS: , Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data

CH$NAME: d-alpha-BHC CH$NAME: (1a,2a,3b,4a,5b,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 16740741 CH$LINK: INCHIKEY JLYXXMFPNIAWKQ-GPIVLXJGSA-N
AC$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 7.58 min
MS$FOCUSED_ION: ION_TYPE [M]+* MS$FOCUSED_ION: PRECURSOR_M/Z 287.86
PK$SPLASH: splash10-00lr-4930000000-3fb7e40e7df10ea2a6e3 PK$NUM_PEAK: 109 PK$PEAK: m/z int. rel.int. 40 8 8 47 12 12 48 9 9 49 17 17 50 29 29 51 334 334 52 58 58 53 9 9 54 5 5 55 36 36 56 42 42 57 9 9 60 16 16 61 86 86 62 24 24 63 64 64 65 11 11 72 19 19 73 189 189 74 116 116 75 251 251 76 40 40 77 386 386 78 263 263 79 17 17 83 184 184 84 21 21 85 240 240 86 27 27 87 159 159 88 12 12 89 35 35 91 17 17 95 16 16 96 72 72 97 27 27 98 48 48 99 62 62 100 19 19 101 18 18 107 15 15 108 6 6 109 245 245 110 32 32 111 693 693 112 166 166 113 240 240 114 50 50 115 21 21 119 13 13 120 5 5 121 124 124 122 83 83 123 76 76 124 56 56 125 16 16 126 8 8 131 13 13 133 58 58 134 31 31 135 51 51 136 19 19 137 15 15 143 70 70 144 8 8 145 268 268 146 210 210 147 401 401 148 165 165 149 197 197 150 37 37 151 28 28 155 7 7 156 122 122 157 35 35 158 111 111 159 29 29 160 38 38 161 8 8 162 5 5 168 6 6 169 30 30 170 5 5 171 29 29 173 8 8 180 13 13 181 999 999 182 92 92 183 985 985 184 76 76 185 316 316 186 26 26 187 40 40 216 51 51 217 708 708 218 102 102 219 901 901 220 9 9 221 440 440 222 9 9 223 96 96 224 17 17 225 4 4 228 3 3 229 10 10 252 24 24 254 43 43 256 21 21 258 9 9 //