MassBank Record: MSBNK-AGILENT-AG000062

Bentazone; ESI-QTOF; MS2; CE: 20; [M-H]-

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ACCESSION: MSBNK-AGILENT-AG000062
RECORD_TITLE: Bentazone; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY

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CH$NAME: Bentazone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂N₂O₃S
CH$EXACT_MASS: 240.05686
CH$SMILES: CC(C)N1C(=O)C2C=CC=CC=2NS1(=O)=O
CH$IUPAC: InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3
CH$LINK: CAS 25057-89-0
CH$LINK: CHEMSPIDER 2238
CH$LINK: INCHIKEY ZOMSMJKLGFBRBS-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 20

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MS$FOCUSED_ION: PRECURSOR_M/Z 239.04959
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

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PK$SPLASH: splash10-001a-0940000000-2a0f744095dff7e8aa92
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  41.998537 2.220237 22
  105.034588 1.645575 16
  117.045822 2.858086 28
  132.032911 60.998189 609
  133.040736 26.763827 267
  147.081539 2.594728 25
  175.087687 45.031698 449
  195.994811 5.56813 55
  197.002636 50.127522 500
  239.049587 100.000004 999
//