MassBank Record: KO008895



 Bentazon; LC-ESI-IT; MS3; m/z: 241/199; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO008895
RECORD_TITLE: Bentazon; LC-ESI-IT; MS3; m/z: 241/199; [M+H]+
DATE: 2011.12.05 (2008.05.12)
AUTHORS: Ojima YInstitute for Advanced Biosciences, Keio Univ., Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Soga TInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID B072
COMMENT: [MS2] KO008894

CH$NAME: Bentazone CH$NAME: Bentazon CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H12N2O3S CH$EXACT_MASS: 240.05686 CH$SMILES: CC(C)N(C(=O)1)S(=O)(=O)Nc(c2)c(ccc2)1 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$LINK: KEGG C10965 CH$LINK: PUBCHEM 13148 CH$LINK: INCHIKEY ZOMSMJKLGFBRBS-UHFFFAOYSA-N
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS3 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70/0.60
MS$FOCUSED_ION: PRECURSOR_M/Z 241/199 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-000i-0900000000-91283dd7b030ddea8088 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 80.1 3.08 2 92.1 108.91 73 107.1 513.46 345 113.1 2.23 1 114.1 6.69 4 117.0 8.61 6 120.0 359.17 241 126.0 3.92 3 135.0 1487.83 999 136.1 22.69 15 136.7 25.45 17 137.9 31.15 21 154.0 12.46 8 178.1 4.23 3 181.0 7.31 5 182.0 583.10 392 199.0 39.15 26 200.0 39.53 27 213.4 19.08 13 217.0 11.46 8 230.2 1.23 1 240.1 1.92 1 250.1 5.00 3 265.2 1.54 1 //