ACCESSION: MSBNK-MSSJ-MSJ01049
RECORD_TITLE: p,p'-DDD; 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$NAME: p,p'-DDD
CH$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
//