MassBank Record: WA002557



 Nitrendipine; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
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ACCESSION: WA002557
RECORD_TITLE: Nitrendipine; 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$NAME: Nitrendipine CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H20N2O6 CH$EXACT_MASS: 360.13214 CH$SMILES: CCOC(=O)C(=C(C)1)C(c(c2)cc(N(=O)=O)cc2)C(C(=O)OC)=C(C)N1 CH$IUPAC: InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3 CH$LINK: CAS 39562-70-4
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 18.180 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: splash10-0o90-0390000000-4f44cc2b9aaf6a18877d PK$NUM_PEAK: 131 PK$PEAK: m/z int. rel.int. 104 31 31 105 12 12 106 51 51 107 12 12 108 16 16 115 39 39 117 27 27 118 55 55 120 12 12 122 51 51 128 55 55 129 51 51 130 43 43 131 24 24 133 35 35 134 71 71 139 12 12 140 67 67 141 51 51 143 74 74 144 16 16 145 27 27 146 24 24 147 24 24 150 168 168 151 35 35 152 20 20 153 31 31 154 43 43 155 47 47 156 35 35 157 47 47 158 16 16 159 16 16 160 12 12 165 67 67 166 63 63 167 55 55 168 396 396 169 78 78 170 67 67 171 94 94 172 20 20 173 12 12 174 31 31 176 133 133 177 12 12 178 47 47 179 12 12 180 141 141 181 188 188 182 251 251 183 212 212 184 82 82 185 16 16 186 39 39 189 59 59 192 12 12 193 31 31 194 47 47 195 27 27 196 188 188 197 90 90 198 145 145 199 51 51 200 90 90 201 16 16 202 16 16 207 27 27 208 278 278 209 451 451 210 999 999 211 443 443 212 161 161 213 20 20 214 43 43 215 31 31 217 78 78 218 12 12 221 20 20 222 27 27 223 31 31 224 31 31 225 94 94 226 913 913 227 270 270 228 59 59 229 24 24 230 16 16 235 24 24 236 204 204 237 129 129 238 106 106 239 59 59 240 192 192 241 51 51 242 110 110 243 55 55 244 12 12 245 12 12 249 16 16 252 12 12 253 345 345 254 776 776 255 905 905 256 188 188 257 47 47 258 12 12 266 24 24 267 168 168 268 302 302 269 509 509 270 118 118 271 24 24 273 12 12 281 35 35 283 227 227 284 184 184 285 59 59 286 12 12 298 78 78 299 24 24 301 223 223 302 27 27 303 12 12 315 121 121 329 71 71 330 12 12 331 27 27 378 12 12 383 20 20 //