MassBank Record: MSJ01049



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

ACCESSION: MSJ01049
RECORD_TITLE: p,p'-DDD; 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$NAME: p,p'-DDD CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C14H10Cl4 CH$EXACT_MASS: 317.95366 CH$SMILES: Clc1ccc(cc1)C(C(Cl)Cl)c2ccc(Cl)cc2 CH$IUPAC: InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H CH$LINK: INCHIKEY AHJKRLASYNVKDZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:6294 CH$LINK: COMPTOX DTXSID4020373
AC$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 14.32 min
MS$FOCUSED_ION: ION_TYPE [M]+* MS$FOCUSED_ION: PRECURSOR_M/Z 317.95
PK$SPLASH: splash10-01tc-9750000000-6968972ca1e3d78150f7 PK$NUM_PEAK: 118 PK$PEAK: m/z int. rel.int. 40 8 8 41 134 134 42 139 139 43 421 421 44 173 173 45 34 34 46 13 13 47 56 56 48 24 24 53 7 7 54 8 8 55 43 43 56 23 23 57 14 14 58 358 358 59 21 21 61 6 6 67 16 16 68 271 271 69 197 197 70 37 37 71 167 167 72 18 18 73 9 9 74 117 117 75 9 9 76 5 5 78 5 5 80 6 6 81 10 10 82 14 14 83 46 46 84 13 13 85 69 69 86 13 13 89 7 7 90 5 5 91 10 10 92 4 4 93 29 29 94 38 38 95 26 26 96 121 121 97 32 32 99 183 183 100 35 35 101 7 7 102 6 6 103 18 18 106 105 105 107 12 12 108 5 5 109 9 9 110 49 49 111 78 78 112 16 16 113 13 13 114 9 9 115 16 16 116 27 27 117 27 27 121 7 7 122 107 107 123 46 46 124 10 10 125 18 18 127 31 31 128 21 21 130 14 14 135 5 5 136 23 23 137 33 33 138 103 103 139 59 59 140 24 24 141 21 21 142 64 64 143 12 12 144 34 34 150 4 4 151 10 10 152 54 54 153 17 17 154 5 5 155 128 128 156 42 42 157 77 77 158 7 7 164 10 10 166 23 23 167 9 9 168 7 7 169 57 57 170 308 308 171 86 86 172 15 15 180 8 8 181 41 41 182 14 14 184 153 153 185 223 223 186 29 29 194 6 6 196 16 16 198 3 3 200 7 7 202 3 3 204 7 7 212 555 555 213 65 65 214 30 30 224 12 12 225 11 11 226 72 72 227 999 999 228 133 133 229 55 55 230 7 7 //

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