MassBank Record: MSJ01050



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

ACCESSION: MSJ01050
RECORD_TITLE: p,p'-DDE; 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$NAME: p,p'-DDE CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C14H8Cl4 CH$EXACT_MASS: 315.93801 CH$SMILES: C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl CH$IUPAC: InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H CH$LINK: INCHIKEY UCNVFOCBFJOQAL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3035
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$CHROMATOGRAPHY: RETENTION_TIME 13.07 min
MS$FOCUSED_ION: ION_TYPE [M]+* MS$FOCUSED_ION: PRECURSOR_M/Z 315.94
PK$SPLASH: splash10-00kb-2796000000-abd415deb93cac5ece05 PK$NUM_PEAK: 112 PK$PEAK: m/z int. rel.int. 40 8 8 50 29 29 51 30 30 61 10 10 62 20 20 63 20 20 73 16 16 74 63 63 75 99 99 76 14 14 80 7 7 82 20 20 84 8 8 85 18 18 86 24 24 87 118 118 88 69 69 92 18 18 93 20 20 94 5 5 97 12 12 98 31 31 99 58 58 100 14 14 101 9 9 104 35 35 105 232 232 106 89 89 107 5 5 108 6 6 109 18 18 110 51 51 111 41 41 112 7 7 113 11 11 121 4 4 122 108 108 123 162 162 124 76 76 125 36 36 126 14 14 127 18 18 128 16 16 129 6 6 133 5 5 134 10 10 135 26 26 136 16 16 137 21 21 138 12 12 140 96 96 141 100 100 142 37 37 143 4 4 146 5 5 147 12 12 148 8 8 149 43 43 150 56 56 151 14 14 159 5 5 160 26 26 161 7 7 162 11 11 163 24 24 164 8 8 170 35 35 171 6 6 172 21 21 173 14 14 174 84 84 175 100 100 176 344 344 177 55 55 184 15 15 185 9 9 186 13 13 199 9 9 209 9 9 210 132 132 211 46 46 212 68 68 213 16 16 214 6 6 222 5 5 233 28 28 234 5 5 235 21 21 244 7 7 245 32 32 246 999 999 247 182 182 248 671 671 249 109 109 250 112 112 251 17 17 280 52 52 281 57 57 282 62 62 283 57 57 284 41 41 285 33 33 286 12 12 316 653 653 317 100 100 318 840 840 319 27 27 320 410 410 321 65 65 322 17 17 323 12 12 324 7 7 //