MassBank Record: MSBNK-AGILENT-AG000020

Dinoseb (Subitex); ESI-QTOF; MS2; CE: 10; [M-H]-

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ACCESSION: MSBNK-AGILENT-AG000020
RECORD_TITLE: Dinoseb (Subitex); ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY

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CH$NAME: Dinoseb (Subitex)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂N₂O₅
CH$EXACT_MASS: 240.07462
CH$SMILES: CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O
CH$IUPAC: InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3
CH$LINK: CAS 88-85-7
CH$LINK: CHEMSPIDER 6684
CH$LINK: INCHIKEY OWZPCEFYPSAJFR-UHFFFAOYSA-N

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AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

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MS$FOCUSED_ION: PRECURSOR_M/Z 239.0673450574
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

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PK$SPLASH: splash10-000i-0090000000-f0898f2af1255e5d7d14
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  194.045881 1.719317 17
  239.067345 100 999
//