ACCESSION: MSBNK-MSSJ-MSJ01048
RECORD_TITLE: O,P'-DDT; GC-EI-Q; MS; Positive
DATE: 2017.07.13 (Created 2016.12.16)
AUTHORS: Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data

CH$NAME: O,P'-DDT
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C₁₄H₉Cl₅
CH$EXACT_MASS: 351.91469
CH$SMILES: C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl
CH$IUPAC: InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H
CH$LINK: INCHIKEY CVUGPAFCQJIYDT-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:13089
CH$LINK: COMPTOX DTXSID6022345

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 14.43 min

PK$SPLASH: splash10-000i-2590000000-6ce66449db4c4980cfe8
PK$NUM_PEAK: 117
PK$PEAK: m/z int. rel.int.
  40 8 8
  44 20 20
  45 5 5
  50 22 22
  51 30 30
  62 16 16
  63 19 19
  69 7 7
  73 16 16
  74 34 34
  75 89 89
  76 21 21
  77 17 17
  81 19 19
  82 63 63
  85 12 12
  86 15 15
  87 50 50
  88 97 97
  89 21 21
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  93 15 15
  98 9 9
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  123 54 54
  124 26 26
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  138 28 28
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  163 51 51
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  165 409 409
  166 64 64
  167 5 5
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  176 143 143
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  287 5 5
  316 16 16
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  356 9 9
//