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MassBank Record: MSBNK-AGILENT-AG000061

Bentazone; ESI-QTOF; MS2; CE: 40; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-AGILENT-AG000061
RECORD_TITLE: Bentazone; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY

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

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 40

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

PK$SPLASH: splash10-001i-2900000000-e85faf8ebde2399a7141
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  41.998537 6.7528 67
  76.031849 33.66416 336
  77.039674 8.42905 84
  79.957363 10.597955 105
  105.034588 16.57348 165
  115.030172 1.780273 17
  116.037997 5.540778 55
  117.045822 21.405132 213
  132.032911 100.000003 999
  133.040736 31.613797 315
  145.040736 1.847244 18
  167.999897 1.30774 13
  195.994811 2.199121 21
  197.002636 4.448053 44
//

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