MassBank Record: WA001259



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

ACCESSION: WA001259
RECORD_TITLE: Lormetazepam; 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$NAME: Lormetazepam CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H12Cl2N2O2 CH$EXACT_MASS: 334.02758 CH$SMILES: Clc(c3)cc(c(c3)2)C(=NC(O)C(=O)N(C)2)c(c1)c(Cl)ccc1 CH$IUPAC: InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3 CH$LINK: CAS 848-75-9
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 16.400 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: splash10-004u-0390000000-86d01760dc7eb8a75095 PK$NUM_PEAK: 103 PK$PEAK: m/z int. rel.int. 102 20 20 107 55 55 111 16 16 113 8 8 117 118 118 120 8 8 123 8 8 125 129 129 127 114 114 129 24 24 130 35 35 132 16 16 138 168 168 139 27 27 140 59 59 141 12 12 142 35 35 143 8 8 144 8 8 150 43 43 152 82 82 153 8 8 154 24 24 164 12 12 165 59 59 166 24 24 167 8 8 168 8 8 177 309 309 178 31 31 179 114 114 180 71 71 181 8 8 182 20 20 191 35 35 192 94 94 193 27 27 194 8 8 199 24 24 201 16 16 206 8 8 207 8 8 208 16 16 209 12 12 213 165 165 214 161 161 215 71 71 216 51 51 217 8 8 218 8 8 219 59 59 220 12 12 226 51 51 227 639 639 228 270 270 229 239 239 230 86 86 231 8 8 239 31 31 241 12 12 243 282 282 244 39 39 245 94 94 246 12 12 248 8 8 250 27 27 252 16 16 253 114 114 254 20 20 255 67 67 256 12 12 257 12 12 262 118 118 263 27 27 264 78 78 265 20 20 266 20 20 273 47 47 274 8 8 275 31 31 277 16 16 279 8 8 289 999 999 290 121 121 291 744 744 292 98 98 293 165 165 294 20 20 295 8 8 305 8 8 307 8 8 311 8 8 317 12 12 319 8 8 357 74 74 358 12 12 359 55 55 360 8 8 361 12 12 373 20 20 375 12 12 379 8 8 398 8 8 //