ACCESSION: MSBNK-Waters-WA001845
RECORD_TITLE: Amlodipine; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.10.25)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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$LINK: CAS 88150-42-9
CH$LINK: INCHIKEY HTIQEAQVCYTUBX-KRWDZBQOSA-N
CH$LINK: COMPTOX DTXSID50904504

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 15.430 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$SPLASH: splash10-0032-0940000000-20b1ec5442a189ffbf17
PK$ANNOTATION: m/z type
  409 [M+1]+
  431 [M+Na]+
  447 [M+K]+
PK$NUM_PEAK: 190
PK$PEAK: m/z int. rel.int.
  100 55 55
  101 157 157
  102 803 803
  103 47 47
  104 43 43
  105 67 67
  106 51 51
  107 24 24
  108 51 51
  109 27 27
  110 35 35
  111 24 24
  114 20 20
  115 572 572
  116 341 341
  117 27 27
  118 149 149
  119 90 90
  120 584 584
  121 63 63
  122 286 286
  123 12 12
  124 118 118
  125 184 184
  126 82 82
  127 133 133
  128 599 599
  129 396 396
  130 106 106
  131 20 20
  132 55 55
  133 20 20
  134 35 35
  135 12 12
  136 74 74
  137 321 321
  138 39 39
  139 662 662
  140 188 188
  141 321 321
  142 411 411
  143 298 298
  144 78 78
  145 90 90
  146 20 20
  148 999 999
  149 815 815
  150 82 82
  151 439 439
  152 325 325
  153 278 278
  154 212 212
  155 286 286
  156 129 129
  157 67 67
  158 39 39
  159 27 27
  160 12 12
  161 39 39
  162 51 51
  163 161 161
  164 106 106
  165 376 376
  166 196 196
  167 415 415
  168 451 451
  169 278 278
  170 121 121
  171 35 35
  173 74 74
  174 12 12
  175 133 133
  176 780 780
  177 165 165
  178 302 302
  179 227 227
  180 807 807
  181 584 584
  182 208 208
  183 118 118
  184 106 106
  185 24 24
  186 12 12
  187 78 78
  188 16 16
  189 208 208
  190 129 129
  191 121 121
  192 90 90
  193 39 39
  194 161 161
  195 235 235
  196 537 537
  197 384 384
  198 223 223
  199 35 35
  200 35 35
  201 82 82
  202 102 102
  203 114 114
  204 431 431
  205 114 114
  206 243 243
  207 102 102
  208 725 725
  209 321 321
  210 118 118
  211 59 59
  212 94 94
  213 47 47
  214 306 306
  215 59 59
  216 192 192
  217 153 153
  218 145 145
  219 78 78
  220 106 106
  221 51 51
  222 86 86
  223 129 129
  224 548 548
  225 529 529
  226 212 212
  227 31 31
  228 39 39
  229 55 55
  230 309 309
  231 125 125
  232 678 678
  233 231 231
  234 259 259
  235 121 121
  236 63 63
  237 24 24
  238 63 63
  239 145 145
  240 274 274
  241 35 35
  242 176 176
  243 90 90
  244 176 176
  245 74 74
  246 51 51
  247 20 20
  248 78 78
  249 94 94
  250 67 67
  251 27 27
  252 71 71
  253 43 43
  255 16 16
  256 16 16
  257 43 43
  258 419 419
  259 74 74
  260 635 635
  261 106 106
  262 161 161
  263 47 47
  264 16 16
  267 20 20
  268 20 20
  270 184 184
  271 24 24
  272 51 51
  274 35 35
  275 16 16
  276 71 71
  277 20 20
  278 16 16
  286 102 102
  288 78 78
  289 12 12
  290 16 16
  291 12 12
  294 24 24
  306 35 35
  308 12 12
  334 24 24
  409 16 16
  425 12 12
  429 12 12
  431 325 325
  432 59 59
  433 110 110
  434 24 24
  447 337 337
  448 55 55
  449 125 125
  450 35 35
//