MassBank Record: WA000772



 Medazepam; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000772
RECORD_TITLE: Medazepam; LC-ESI-Q; MS; POS; 90 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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0aou-0950000000-9eed7e2565f13753a034 PK$NUM_PEAK: 98 PK$PEAK: m/z int. rel.int. 101 16 16 102 20 20 103 47 47 104 82 82 105 20 20 106 16 16 111 24 24 113 12 12 114 8 8 115 31 31 116 24 24 117 380 380 118 59 59 119 8 8 123 16 16 124 8 8 125 106 106 126 16 16 127 35 35 128 98 98 129 47 47 130 239 239 131 102 102 132 24 24 138 71 71 139 24 24 140 39 39 141 20 20 142 8 8 143 8 8 144 12 12 146 12 12 150 20 20 151 24 24 152 90 90 153 27 27 154 27 27 155 8 8 156 8 8 157 12 12 163 31 31 164 67 67 165 999 999 166 184 184 167 165 165 168 16 16 169 8 8 176 16 16 177 27 27 178 165 165 179 235 235 180 106 106 181 35 35 182 8 8 189 8 8 190 20 20 191 63 63 192 302 302 193 756 756 194 145 145 195 20 20 199 8 8 201 12 12 202 8 8 203 24 24 204 129 129 205 55 55 206 983 983 207 870 870 208 121 121 209 12 12 212 12 12 213 8 8 214 31 31 215 8 8 216 16 16 217 31 31 218 90 90 219 51 51 220 24 24 221 16 16 226 12 12 227 153 153 228 86 86 229 55 55 230 39 39 235 8 8 238 20 20 240 27 27 241 43 43 242 20 20 243 16 16 244 8 8 254 27 27 255 24 24 256 12 12 257 8 8 271 12 12 //