MassBank Record: WA001505



 Chlordiazepoxide; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001505
RECORD_TITLE: Chlordiazepoxide; LC-ESI-Q; MS; POS; 75 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$NAME: Chlordiazepoxide CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H14ClN3O CH$EXACT_MASS: 299.08254 CH$SMILES: CNC(C2)=Nc(c3)c(cc(Cl)c3)C(=[N+1]([O-1])2)c(c1)cccc1 CH$IUPAC: InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19) CH$LINK: CAS 58-25-3
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.020 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0059-0390000000-74ef445345d268f41834 PK$NUM_PEAK: 94 PK$PEAK: m/z int. rel.int. 104 24 24 105 243 243 106 35 35 107 12 12 118 125 125 119 8 8 124 16 16 126 12 12 128 8 8 130 12 12 131 8 8 132 8 8 138 31 31 139 8 8 140 24 24 145 8 8 146 8 8 151 12 12 152 20 20 153 20 20 154 20 20 155 8 8 156 8 8 163 31 31 164 12 12 165 172 172 166 47 47 167 31 31 168 12 12 171 8 8 178 8 8 179 24 24 180 82 82 181 16 16 182 24 24 190 20 20 191 12 12 192 215 215 193 39 39 194 63 63 195 20 20 196 20 20 203 8 8 204 12 12 205 31 31 206 71 71 207 27 27 208 16 16 209 8 8 214 31 31 216 16 16 217 8 8 218 55 55 219 63 63 220 71 71 221 12 12 226 16 16 227 999 999 228 106 106 229 345 345 230 39 39 232 8 8 233 8 8 238 12 12 239 8 8 240 12 12 241 176 176 242 35 35 243 63 63 244 8 8 246 43 43 247 200 200 248 35 35 251 20 20 252 51 51 253 39 39 254 39 39 255 71 71 256 39 39 257 39 39 258 12 12 265 8 8 266 12 12 267 35 35 268 27 27 269 98 98 270 20 20 271 31 31 282 623 623 283 114 114 284 223 223 285 39 39 300 20 20 302 8 8 //