MassBank Record: KO000372



 Bentazon; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000372
RECORD_TITLE: Bentazon; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID B072

CH$NAME: Bentazon CH$NAME: Bentazone 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: NIKKAJI J1.875I CH$LINK: PUBCHEM SID:13148
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 239 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-0090000000-9b60f224e34be1b5505f PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 58.900 44554.5 1 61.900 69307.0 1 79.300 608911.5 1 90.700 29703.0 1 96.800 331683.5 1 100.800 24752.5 1 113.000 9901.0 1 116.100 34653.5 1 116.900 89109.0 1 127.900 59406.0 1 128.700 24752.5 1 132.100 7623770.0 8 133.100 3762380.0 4 141.600 44554.5 1 145.200 178218.0 1 147.300 821783.0 1 151.300 24752.5 1 152.200 14851.5 1 157.100 138614.0 1 158.800 14851.5 1 170.900 14851.5 1 175.100 42995092.5 47 177.000 113861.5 1 195.400 217822.0 1 196.100 668317.5 1 197.100 33257459.0 36 205.200 79208.0 1 206.200 509901.5 1 223.000 618812.5 1 237.400 79208.0 1 239.200 914703885.0 999 399.600 103960.5 1 //