MassBank Record: KO000371



 Bentazon; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000371
RECORD_TITLE: Bentazon; LC-ESI-QQ; MS2; CE:10 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 239 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-0090000000-52d24cba58b49af66f64 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 35.300 19802.0 1 62.300 74257.5 1 78.700 69307.0 1 96.700 14851.5 1 116.800 14851.5 1 131.700 168317.0 1 133.100 79208.0 1 140.700 34653.5 1 151.400 49505.0 1 160.000 24752.5 1 174.900 366337.0 1 175.500 123762.5 1 177.100 282178.5 1 181.400 24752.5 1 195.300 118812.0 1 197.400 460396.5 1 205.500 74257.5 1 206.600 826733.5 1 221.400 19802.0 1 222.900 321782.5 1 238.000 39604.0 1 239.200 1408412299.5 999 399.600 257426.0 1 400.400 19802.0 1 //