MassBank Record: WA002564



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

ACCESSION: WA002564
RECORD_TITLE: Nicardipine; LC-ESI-Q; MS; POS; 75 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0193000000-50a21329e52317619949 PK$NUM_PEAK: 71 PK$PEAK: m/z int. rel.int. 105 168 168 106 16 16 111 16 16 132 63 63 148 247 247 149 27 27 165 27 27 166 59 59 168 20 20 171 16 16 176 16 16 181 20 20 182 16 16 183 31 31 184 12 12 193 16 16 196 20 20 197 12 12 198 12 12 200 20 20 208 24 24 209 94 94 210 172 172 211 125 125 212 24 24 214 12 12 217 31 31 225 16 16 226 313 313 227 67 67 228 16 16 229 16 16 235 12 12 236 47 47 237 39 39 238 51 51 239 47 47 240 47 47 241 27 27 242 31 31 247 133 133 248 12 12 249 12 12 253 31 31 254 227 227 255 118 118 256 55 55 257 43 43 258 12 12 267 239 239 268 259 259 269 791 791 270 133 133 271 24 24 281 20 20 283 247 247 284 55 55 285 24 24 298 282 282 299 47 47 313 59 59 315 999 999 316 196 196 317 27 27 331 27 27 349 16 16 359 239 239 360 43 43 381 12 12 480 31 31 514 16 16 //

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