MassBank Record: WA002563



 Nicardipine; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
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ACCESSION: WA002563
RECORD_TITLE: Nicardipine; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Nicardipine CH$COMPOUND_CLASS: N/A CH$FORMULA: C26H29N3O6 CH$EXACT_MASS: 479.20564 CH$SMILES: c(c1)(N(=O)=O)cccc1C(C(C(=O)OC)=2)C(C(=O)OCCN(C)Cc(c3)cccc3)=C(NC2C)C CH$IUPAC: InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3 CH$LINK: CAS 55985-32-5 CH$LINK: INCHIKEY ZBBHBTPTTSWHBA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023363
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: RETENTION_TIME 16.250 min AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-02t9-0390000000-12b7bb91b3b814d1a1d8 PK$NUM_PEAK: 134 PK$PEAK: m/z int. rel.int. 102 12 12 103 16 16 104 16 16 105 141 141 106 74 74 107 12 12 111 55 55 115 16 16 116 12 12 118 71 71 120 16 16 128 39 39 129 47 47 130 51 51 132 102 102 133 39 39 134 67 67 139 20 20 140 47 47 141 47 47 142 35 35 143 47 47 144 20 20 145 24 24 146 31 31 147 12 12 148 67 67 150 51 51 151 12 12 152 16 16 153 31 31 154 47 47 155 35 35 156 24 24 157 39 39 158 16 16 165 239 239 166 74 74 167 47 47 168 192 192 169 43 43 170 35 35 171 63 63 172 24 24 173 16 16 174 39 39 176 106 106 177 12 12 178 12 12 179 20 20 180 153 153 181 176 176 182 165 165 183 137 137 184 47 47 185 12 12 186 20 20 189 39 39 192 35 35 193 82 82 194 59 59 195 27 27 196 180 180 197 67 67 198 86 86 199 20 20 200 90 90 201 35 35 202 20 20 203 24 24 207 20 20 208 286 286 209 407 407 210 854 854 211 501 501 212 90 90 213 16 16 214 39 39 217 67 67 218 12 12 219 20 20 221 20 20 222 27 27 224 39 39 225 67 67 226 901 901 227 188 188 228 43 43 229 24 24 230 24 24 231 12 12 235 31 31 236 266 266 237 161 161 238 106 106 239 71 71 240 165 165 241 67 67 242 63 63 243 20 20 247 110 110 248 12 12 249 27 27 252 16 16 253 176 176 254 533 533 255 184 184 256 106 106 257 51 51 266 20 20 267 290 290 268 564 564 269 999 999 270 184 184 271 27 27 281 47 47 283 200 200 284 47 47 285 31 31 298 204 204 299 31 31 313 67 67 315 337 337 316 51 51 331 16 16 349 12 12 359 78 78 360 12 12 365 16 16 381 39 39 480 74 74 481 16 16 514 39 39 518 12 12 //

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