MassBank Record: MSJ01048



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

ACCESSION: MSJ01048
RECORD_TITLE: O,P'-DDT; GC-EI-Q; MS; Positive
DATE: 2017.07.13 (2016.12.16)
AUTHORS: , Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data

CH$NAME: O,P'-DDT CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C14H9Cl5 CH$EXACT_MASS: 351.91469 CH$SMILES: C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl CH$IUPAC: InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H CH$LINK: INCHIKEY CVUGPAFCQJIYDT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:13089 CH$LINK: COMPTOX DTXSID6022345
AC$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 14.43 min
PK$SPLASH: splash10-000i-2590000000-6ce66449db4c4980cfe8 PK$NUM_PEAK: 117 PK$PEAK: m/z int. rel.int. 40 8 8 44 20 20 45 5 5 50 22 22 51 30 30 62 16 16 63 19 19 69 7 7 73 16 16 74 34 34 75 89 89 76 21 21 77 17 17 81 19 19 82 63 63 85 12 12 86 15 15 87 50 50 88 97 97 89 21 21 92 11 11 93 15 15 98 9 9 99 46 46 100 29 29 101 33 33 102 14 14 104 5 5 105 60 60 106 39 39 107 11 11 108 5 5 110 20 20 111 20 20 113 13 13 114 7 7 115 5 5 117 5 5 119 5 5 122 14 14 123 54 54 124 26 26 125 18 18 126 11 11 127 8 8 135 14 14 136 53 53 137 31 31 138 28 28 139 22 22 141 10 10 143 6 6 149 21 21 150 27 27 151 26 26 152 9 9 160 5 5 161 7 7 162 8 8 163 51 51 164 55 55 165 409 409 166 64 64 167 5 5 170 11 11 171 19 19 172 13 13 173 19 19 174 21 21 175 32 32 176 143 143 177 40 40 178 40 40 179 7 7 182 0 0 186 5 5 199 141 141 200 90 90 201 68 68 202 32 32 206 9 9 208 7 7 210 25 25 211 24 24 212 140 140 213 29 29 214 38 38 215 6 6 233 5 5 235 999 999 236 142 142 237 654 654 238 106 106 239 106 106 240 14 14 246 118 118 247 37 37 248 96 96 249 29 29 250 20 20 281 14 14 282 39 39 283 23 23 284 34 34 285 11 11 286 11 11 287 5 5 316 16 16 317 9 9 318 21 21 319 15 15 320 18 18 321 6 6 322 5 5 352 10 10 354 13 13 356 9 9 //

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