MassBank Record: WA002758



 Diuron; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002758
RECORD_TITLE: Diuron; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Diuron CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10Cl2N2O CH$EXACT_MASS: 232.01702 CH$SMILES: CN(C)C(=O)Nc(c1)cc(Cl)c(Cl)c1 CH$IUPAC: InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14) CH$LINK: CAS 330-54-1
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 17.030 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0910000000-c5b9f9539b8c96a7eed5 PK$NUM_PEAK: 98 PK$PEAK: m/z int. rel.int. 100 98 98 101 63 63 103 27 27 109 16 16 112 121 121 115 16 16 116 47 47 117 384 384 118 39 39 119 47 47 120 47 47 121 98 98 122 20 20 123 24 24 124 86 86 125 278 278 126 90 90 127 165 165 130 67 67 131 51 51 133 337 337 135 204 204 136 51 51 137 63 63 140 59 59 143 20 20 144 16 16 145 20 20 146 24 24 147 90 90 148 31 31 153 125 125 154 12 12 155 74 74 157 24 24 158 43 43 160 999 999 161 16 16 162 725 725 163 125 125 164 141 141 165 8 8 167 39 39 168 43 43 169 12 12 173 35 35 174 47 47 175 86 86 176 12 12 178 8 8 179 43 43 183 20 20 184 8 8 187 12 12 188 78 78 190 55 55 195 12 12 196 8 8 197 27 27 201 141 141 202 35 35 203 12 12 205 12 12 206 24 24 208 12 12 212 16 16 213 8 8 217 27 27 219 8 8 221 31 31 227 67 67 229 16 16 231 20 20 232 39 39 233 114 114 235 8 8 236 8 8 238 24 24 239 8 8 240 145 145 241 16 16 243 12 12 246 8 8 250 8 8 253 8 8 254 20 20 255 8 8 256 8 8 257 8 8 262 24 24 264 16 16 265 12 12 267 39 39 269 16 16 270 16 16 274 8 8 277 8 8 280 27 27 //