ACCESSION: MSBNK-MSSJ-MSJ01035
RECORD_TITLE: 2,4,5-T-butyl; 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$NAME: 2,4,5-T-butyl
CH$NAME: Krzewotoks
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C₁₂H₁₃Cl₃O₃
CH$EXACT_MASS: 309.99303
CH$SMILES: CCCCOC(=O)COc(c1)c(Cl)cc(Cl)c(Cl)1
CH$IUPAC: InChI=1S/C12H13Cl3O3/c1-2-3-4-17-12(16)7-18-11-6-9(14)8(13)5-10(11)15/h5-6H,2-4,7H2,1H3
CH$LINK: INCHIKEY FNEXNZUHBCBQTI-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7161
CH$LINK: COMPTOX DTXSID7026073

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 11.07 min

PK$SPLASH: splash10-0btc-9562000000-b5f3961eda1107b6c60b
PK$NUM_PEAK: 106
PK$PEAK: m/z int. rel.int.
  41 737 737
  42 124 124
  43 126 126
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  316 9 9
//