ACCESSION: MSBNK-MSSJ-MSJ01051
RECORD_TITLE: p,p'-DDT; 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$NAME: p,p'-DDT
CH$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
//