MassBank Record: WA000698



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

ACCESSION: WA000698
RECORD_TITLE: Prazepam; 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$NAME: Prazepam CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H17ClN2O CH$EXACT_MASS: 324.10294 CH$SMILES: Clc(c3)cc(C=1c(c4)cccc4)c(c3)N(CC(C2)C2)C(=O)CN1 CH$IUPAC: InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2 CH$LINK: CAS 2955-38-6
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 18.800 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: splash10-00dl-0690000000-0d195b8921aee6b970c7 PK$NUM_PEAK: 84 PK$PEAK: m/z int. rel.int. 104 31 31 105 74 74 106 27 27 113 8 8 116 67 67 117 39 39 118 31 31 127 24 24 129 12 12 130 16 16 131 8 8 133 24 24 138 20 20 140 639 639 141 31 31 142 212 212 143 12 12 144 20 20 150 20 20 152 16 16 153 12 12 154 8 8 157 8 8 158 86 86 159 16 16 164 8 8 165 400 400 166 86 86 167 133 133 168 59 59 170 12 12 177 8 8 179 8 8 180 31 31 181 31 31 182 8 8 190 12 12 191 47 47 192 12 12 193 153 153 194 24 24 195 16 16 199 8 8 204 8 8 206 35 35 207 67 67 208 439 439 209 59 59 214 39 39 216 31 31 217 12 12 218 51 51 219 43 43 220 12 12 221 12 12 226 114 114 227 74 74 228 86 86 229 31 31 230 20 20 232 12 12 233 24 24 235 16 16 236 12 12 238 24 24 240 16 16 241 86 86 242 51 51 243 231 231 244 35 35 245 67 67 246 8 8 253 20 20 255 59 59 256 12 12 257 20 20 268 16 16 269 12 12 271 999 999 272 137 137 273 345 345 274 43 43 325 31 31 327 12 12 //