MassBank Record: MSBNK-MSSJ-MSJ01047
ACCESSION: MSBNK-MSSJ-MSJ01047
RECORD_TITLE: Mitotane; 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$NAME: Mitotane
CH$NAME: O,p'-DDD
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C14H10Cl4
CH$EXACT_MASS: 317.95366
CH$SMILES: C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl
CH$IUPAC: InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
CH$LINK: INCHIKEY
JWBOIMRXGHLCPP-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:4211
CH$LINK: COMPTOX
DTXSID9020372
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$CHROMATOGRAPHY: RETENTION_TIME 13.35 min
PK$SPLASH: splash10-000i-2590000000-2d3f8090ffa4733bf9ee
PK$NUM_PEAK: 93
PK$PEAK: m/z int. rel.int.
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50 40 26
51 42 28
62 15 10
63 37 24
73 17 11
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//