MassBank Record: MSJ01059



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

ACCESSION: MSJ01059
RECORD_TITLE: delta-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$NAME: delta-BHC CH$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 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)