MassBank Record: MSJ01051



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

ACCESSION: MSJ01051
RECORD_TITLE: p,p'-DDT; 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$NAME: p,p'-DDT CH$NAME: Clofenotane CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C14H9Cl5 CH$EXACT_MASS: 351.91469 CH$SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl CH$IUPAC: InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H CH$LINK: INCHIKEY YVGGHNCTFXOJCH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3036 CH$LINK: COMPTOX DTXSID4020375
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$CHROMATOGRAPHY: RETENTION_TIME 15.45 min
MS$FOCUSED_ION: ION_TYPE [M]+* MS$FOCUSED_ION: PRECURSOR_M/Z 351.91
PK$SPLASH: splash10-000i-2690000000-56d8c5298b5593a66540 PK$NUM_PEAK: 118 PK$PEAK: m/z int. rel.int. 40 12 12 44 32 32 50 39 39 51 37 37 62 19 19 63 37 37 69 11 11 73 23 23 74 51 51 75 134 134 76 32 32 77 17 17 81 27 27 82 96 96 83 21 21 85 21 21 87 44 44 88 121 121 89 28 28 92 9 9 93 29 29 94 11 11 98 11 11 99 24 24 100 28 28 101 55 55 102 26 26 103 7 7 105 79 79 106 78 78 107 9 9 109 8 8 110 20 20 111 32 32 112 15 15 113 17 17 114 13 13 115 7 7 117 11 11 122 11 11 123 73 73 124 38 38 125 41 41 126 21 21 135 17 17 136 77 77 137 45 45 138 37 37 139 28 28 140 13 13 141 7 7 147 10 10 149 24 24 150 40 40 151 33 33 152 16 16 160 14 14 161 8 8 162 12 12 163 82 82 164 96 96 165 648 648 166 103 103 167 7 7 170 15 15 171 17 17 172 13 13 173 23 23 174 32 32 175 40 40 176 168 168 177 59 59 178 50 50 179 13 13 182 25 25 186 7 7 189 26 26 191 14 14 199 182 182 200 107 107 201 87 87 202 30 30 203 13 13 206 9 9 210 24 24 211 14 14 212 187 187 213 47 47 214 57 57 215 8 8 233 11 11 234 9 9 235 999 999 236 225 225 237 650 650 238 153 153 239 400 400 240 27 27 246 120 120 247 58 58 248 92 92 249 41 41 250 39 39 281 18 18 282 82 82 283 32 32 284 73 73 286 27 27 316 38 38 317 10 10 318 68 68 319 12 12 320 44 44 321 10 10 322 18 18 352 14 14 354 10 10 356 10 10 //

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