ACCESSION: MSBNK-MSSJ-MSJ01038
RECORD_TITLE: Amino-chlornitrofen; 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$NAME: Amino-chlornitrofen
CH$NAME: CNP-amino
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C₁₂H₈Cl₃NO
CH$EXACT_MASS: 286.96715
CH$SMILES: C1=CC(=CC=C1N)OC2=C(C=C(C=C2Cl)Cl)Cl
CH$IUPAC: InChI=1S/C12H8Cl3NO/c13-7-5-10(14)12(11(15)6-7)17-9-3-1-8(16)2-4-9/h1-6H,16H2
CH$LINK: INCHIKEY YDIXMXKRLYKJJM-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:33473
CH$LINK: COMPTOX DTXSID20180919

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 13.31 min

PK$SPLASH: splash10-052r-4790000000-ad779f44b815832a7fe6
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
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//