ACCESSION: MSBNK-MSSJ-MSJ01036
RECORD_TITLE: Butyl 2,4-dichlorophenoxyacetate; 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$NAME: Butyl 2,4-dichlorophenoxyacetate
CH$NAME: Butyl 2,4-D
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C₁₂H₁₄Cl₂O₃
CH$EXACT_MASS: 276.03200
CH$SMILES: CCCCOC(=O)COc(c1)c(Cl)cc(Cl)c1
CH$IUPAC: InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3
CH$LINK: INCHIKEY UQMRAFJOBWOFNS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7206
CH$LINK: COMPTOX DTXSID5020443

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 9.3 min

PK$SPLASH: splash10-06vu-6920000000-e93f74d4fb23eeb82be8
PK$NUM_PEAK: 99
PK$PEAK: m/z int. rel.int.
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//