MassBank Record: WA000775



 Medazepam; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000775
RECORD_TITLE: Medazepam; LC-ESI-Q; MS; POS; 45 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$NAME: Medazepam CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H15ClN2 CH$EXACT_MASS: 270.09238 CH$SMILES: Clc(c3)cc(c(c3)2)C(=NCCN(C)2)c(c1)cccc1 CH$IUPAC: InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3 CH$LINK: CAS 2898-12-6
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.800 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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00di-0190000000-42558d602f3d5f4c6574 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 106 24 24 152 12 12 154 8 8 165 20 20 166 16 16 167 8 8 168 8 8 179 8 8 180 200 200 181 20 20 182 67 67 193 8 8 207 114 114 208 16 16 219 31 31 228 31 31 230 20 20 236 8 8 242 231 231 243 35 35 244 86 86 245 12 12 254 39 39 255 8 8 256 16 16 271 999 999 272 145 145 273 357 357 274 51 51 //