MassBank Record: WA001848



 Amlodipine; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
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ACCESSION: WA001848
RECORD_TITLE: Amlodipine; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.10.25)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Amlodipine CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H25ClN2O5 CH$EXACT_MASS: 408.14520 CH$SMILES: NCCOCC(N1)=C(C(=O)OCC)C(c(c2)c(Cl)ccc2)C(C(=O)OC)=C(C)1 CH$IUPAC: InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m0/s1 CH$LINK: CAS 88150-42-9
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 15.430 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: splash10-0a4u-0093100000-8ad6b5b5842abe03f2ce PK$ANNOTATION: m/z type 409 [M+1]+ 431 [M+Na]+ 447 [M+K]+ PK$NUM_PEAK: 94 PK$PEAK: m/z int. rel.int. 126 12 12 142 20 20 143 12 12 165 24 24 167 27 27 170 125 125 172 20 20 178 16 16 180 20 20 184 12 12 202 47 47 206 407 407 207 16 16 208 901 901 209 78 78 210 12 12 212 20 20 213 31 31 220 157 157 221 24 24 222 59 59 224 12 12 230 31 31 238 999 999 239 114 114 240 360 360 241 39 39 242 12 12 244 12 12 248 98 98 249 82 82 250 47 47 251 20 20 252 20 20 254 24 24 258 16 16 260 27 27 262 20 20 267 12 12 275 12 12 276 27 27 278 24 24 284 12 12 286 47 47 288 90 90 290 27 27 292 12 12 294 603 603 295 153 153 296 231 231 297 35 35 302 12 12 303 141 141 304 31 31 305 51 51 306 16 16 316 35 35 318 71 71 319 16 16 320 129 129 321 24 24 322 43 43 331 27 27 333 12 12 334 157 157 335 16 16 336 141 141 337 16 16 338 27 27 346 24 24 348 12 12 349 12 12 360 39 39 362 12 12 364 27 27 377 462 462 378 94 94 379 172 172 380 31 31 392 12 12 407 43 43 408 12 12 409 31 31 410 12 12 425 43 43 427 12 12 429 31 31 431 368 368 432 67 67 433 118 118 434 20 20 447 110 110 448 20 20 449 47 47 //