MassBank Record: MSJ01056



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

ACCESSION: MSJ01056
RECORD_TITLE: beta-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$NAME: beta-BHC CH$NAME: (1a,2b,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 10468512 CH$LINK: INCHIKEY JLYXXMFPNIAWKQ-CDRYSYESSA-N
AC$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 8.06 min
MS$FOCUSED_ION: ION_TYPE [M]+* MS$FOCUSED_ION: PRECURSOR_M/Z 287.86
PK$SPLASH: splash10-07cr-4920000000-cceb62b1188d00a943e6 PK$NUM_PEAK: 119 PK$PEAK: m/z int. rel.int. 40 9 9 43 5 5 44 6 6 47 5 5 48 11 11 49 94 94 50 229 229 51 387 387 52 85 85 53 9 9 54 6 6 55 34 34 56 45 45 57 10 10 60 24 24 61 116 116 62 34 34 63 68 68 64 7 7 65 12 12 72 20 20 73 227 227 74 137 137 75 295 295 76 48 48 77 469 469 78 400 400 79 24 24 83 261 261 84 31 31 85 310 310 86 40 40 87 216 216 88 17 17 89 46 46 90 7 7 91 5 5 95 20 20 96 96 96 97 31 31 98 72 72 99 87 87 100 31 31 101 27 27 102 6 6 107 14 14 108 9 9 109 999 999 110 47 47 111 950 950 112 188 188 113 310 310 114 63 63 115 36 36 117 5 5 119 18 18 120 6 6 121 154 154 122 159 159 123 103 103 124 98 98 125 21 21 126 17 17 131 14 14 133 72 72 134 33 33 135 84 84 136 22 22 137 30 30 143 96 96 144 14 14 145 289 289 146 201 201 147 522 522 148 172 172 149 257 257 150 50 50 151 37 37 155 9 9 156 68 68 157 52 52 158 65 65 159 50 50 160 23 23 161 13 13 168 4 4 169 33 33 170 6 6 171 40 40 173 8 8 180 14 14 181 926 926 182 86 86 183 895 895 184 80 80 185 310 310 186 21 21 187 38 38 207 5 5 210 20 20 216 30 30 217 668 668 218 90 90 219 834 834 220 72 72 221 405 405 222 30 30 223 95 95 224 6 6 252 60 60 253 7 7 254 98 98 255 7 7 256 60 60 257 6 6 258 19 19 288 10 10 290 17 17 292 8 8 //