MassBank Record: KO000374



 Bentazon; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000374
RECORD_TITLE: Bentazon; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 239 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0900000000-1b8917b0f8fc0c863446 PK$NUM_PEAK: 57 PK$PEAK: m/z int. rel.int. 41.000 34653.5 1 42.300 1896041.5 7 59.000 99010.0 1 66.900 34653.5 1 69.300 178218.0 1 75.000 89109.0 1 76.200 13757439.5 54 77.100 4351489.5 17 77.900 801981.0 3 79.300 975248.5 4 80.100 6272283.5 25 81.000 490099.5 2 83.200 277228.0 1 90.200 524753.0 2 90.900 168317.0 1 92.300 252475.5 1 93.100 49505.0 1 94.900 29703.0 1 96.800 193069.5 1 104.100 1054456.5 4 105.000 22430715.5 89 105.900 277228.0 1 107.300 74257.5 1 114.300 420792.5 2 115.300 1000001.0 4 116.200 11985160.5 47 117.100 27019829.0 107 118.200 123762.5 1 119.100 128713.0 1 120.300 118812.0 1 121.300 54455.5 1 129.100 64356.5 1 129.900 1128714.0 4 130.400 559406.5 2 132.100 252698272.5 999 133.000 98742673.0 390 133.700 356436.0 1 135.300 193069.5 1 145.200 2648517.5 10 147.200 2292081.5 9 148.000 153465.5 1 148.800 79208.0 1 154.200 856436.5 3 157.100 94059.5 1 159.100 599010.5 2 160.300 193069.5 1 168.100 1495051.0 6 169.000 188119.0 1 172.800 39604.0 1 175.200 16564373.0 65 195.000 2153467.5 9 196.300 13108924.0 52 197.300 30267357.0 120 206.200 247525.0 1 207.100 49505.0 1 237.700 29703.0 1 239.200 5396045.0 21 //