ACCESSION: MSBNK-Waters-WA001846
RECORD_TITLE: Amlodipine; LC-ESI-Q; MS; POS; 75 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 75 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0bvj-0790000000-e61d414c67e80dfcb583
PK$ANNOTATION: m/z type
  409 [M+1]+
  431 [M+Na]+
  447 [M+K]+
PK$NUM_PEAK: 181
PK$PEAK: m/z int. rel.int.
  100 24 24
  101 31 31
  102 325 325
  103 20 20
  105 12 12
  108 24 24
  112 12 12
  115 125 125
  116 82 82
  118 16 16
  119 24 24
  120 82 82
  121 24 24
  122 71 71
  124 86 86
  125 59 59
  126 31 31
  127 47 47
  128 110 110
  129 102 102
  130 27 27
  132 12 12
  137 243 243
  138 20 20
  139 212 212
  140 82 82
  141 78 78
  142 243 243
  143 196 196
  144 31 31
  145 20 20
  148 274 274
  149 294 294
  150 43 43
  151 118 118
  152 27 27
  153 43 43
  154 43 43
  155 51 51
  156 51 51
  157 43 43
  158 20 20
  163 67 67
  164 31 31
  165 266 266
  166 78 78
  167 129 129
  168 90 90
  169 51 51
  170 141 141
  171 12 12
  173 12 12
  175 27 27
  176 627 627
  177 94 94
  178 176 176
  179 55 55
  180 243 243
  181 184 184
  182 63 63
  183 67 67
  184 82 82
  185 35 35
  187 16 16
  189 63 63
  190 35 35
  191 55 55
  192 39 39
  193 20 20
  194 51 51
  195 82 82
  196 157 157
  197 157 157
  198 63 63
  199 20 20
  201 20 20
  202 47 47
  203 47 47
  204 184 184
  205 51 51
  206 180 180
  207 43 43
  208 999 999
  209 223 223
  210 59 59
  211 47 47
  212 63 63
  213 39 39
  214 82 82
  215 35 35
  216 94 94
  217 71 71
  218 78 78
  219 43 43
  220 114 114
  221 31 31
  222 74 74
  223 55 55
  224 200 200
  225 215 215
  226 110 110
  227 16 16
  228 20 20
  229 16 16
  230 98 98
  231 71 71
  232 443 443
  233 149 149
  234 204 204
  235 86 86
  236 35 35
  237 20 20
  238 63 63
  239 55 55
  240 231 231
  241 43 43
  242 114 114
  243 43 43
  244 168 168
  245 43 43
  246 90 90
  248 110 110
  249 94 94
  250 63 63
  251 82 82
  252 94 94
  253 35 35
  254 24 24
  255 16 16
  256 16 16
  257 24 24
  258 223 223
  259 55 55
  260 521 521
  261 106 106
  262 192 192
  263 31 31
  264 24 24
  266 16 16
  267 35 35
  270 227 227
  271 31 31
  272 78 78
  273 27 27
  274 63 63
  275 47 47
  276 86 86
  277 31 31
  278 67 67
  280 12 12
  282 12 12
  285 20 20
  286 223 223
  287 27 27
  288 172 172
  289 27 27
  290 51 51
  292 16 16
  294 51 51
  295 16 16
  296 20 20
  301 12 12
  302 20 20
  303 47 47
  304 16 16
  305 12 12
  306 98 98
  308 35 35
  318 24 24
  320 12 12
  332 12 12
  334 133 133
  335 20 20
  336 51 51
  377 16 16
  431 133 133
  432 24 24
  433 47 47
  447 118 118
  448 16 16
  449 47 47
//