MassBank Record: KO000373



 Bentazon; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000373
RECORD_TITLE: Bentazon; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 239 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001r-0920000000-f5afb569ca3b4cfad420 PK$NUM_PEAK: 54 PK$PEAK: m/z int. rel.int. 40.900 19802.0 1 41.900 376238.0 2 48.400 19802.0 1 58.900 103960.5 1 62.000 44554.5 1 69.000 133663.5 1 76.200 514852.0 3 77.200 742575.0 4 78.000 198020.0 1 78.700 876238.5 5 80.000 1173268.5 6 90.200 34653.5 1 95.900 19802.0 1 96.900 430693.5 2 98.900 34653.5 1 103.300 29703.0 1 104.100 54455.5 1 105.000 3712875.0 20 106.000 64356.5 1 115.100 74257.5 1 116.200 1564358.0 8 117.000 8396048.0 44 118.400 103960.5 1 118.900 133663.5 1 128.700 39604.0 1 130.200 742575.0 4 130.500 198020.0 1 132.100 190193259.5 999 133.000 92450587.5 486 133.700 237624.0 1 145.100 2871290.0 15 147.100 8351493.5 44 147.900 54455.5 1 148.500 24752.5 1 151.200 64356.5 1 152.800 24752.5 1 153.800 495050.0 3 157.400 287129.0 2 158.900 108911.0 1 159.300 153465.5 1 160.400 282178.5 1 168.200 163366.5 1 168.700 29703.0 1 171.600 24752.5 1 173.400 69307.0 1 175.200 125703096.0 660 195.800 2787131.5 15 196.700 21559427.5 113 197.200 113302093.5 595 206.400 707921.5 4 223.300 311881.5 2 237.700 64356.5 1 238.300 153465.5 1 239.200 169114030.5 888 //