ACCESSION: MSBNK-MSSJ-MSJ01050
RECORD_TITLE: p,p'-DDE; GC-EI-Q; MS; Positive
DATE: 2017.07.13 (Created 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
CH$LINK: COMPTOX DTXSID9020374

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
//