MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002874

1,3-DIMETHYL-5-PYLAZOLYL-2,4-DICHLOROBENZOATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002874
RECORD_TITLE: 1,3-DIMETHYL-5-PYLAZOLYL-2,4-DICHLOROBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

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CH$NAME: 1,3-DIMETHYL-5-PYLAZOLYL-2,4-DICHLOROBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₀Cl₂N₂O₂
CH$EXACT_MASS: 284.01193
CH$SMILES: Clc(c2)cc(Cl)c(c2)C(=O)Oc(n(C)1)c([H])c(C)n1
CH$IUPAC: InChI=1S/C12H10Cl2N2O2/c1-7-5-11(16(2)15-7)18-12(17)9-4-3-8(13)6-10(9)14/h3-6H,1-2H3
CH$LINK: INCHIKEY QOOMYIRZXFVVFH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80533689

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AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

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MS$FOCUSED_ION: ION_TYPE [M]+*

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//