ACCESSION: MSBNK-Waters-WA001847
RECORD_TITLE: Amlodipine; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-0a4i-0391000000-7eb1252d821c422df67d
PK$ANNOTATION: m/z type
  409 [M+1]+
  431 [M+Na]+
  447 [M+K]+
PK$NUM_PEAK: 145
PK$PEAK: m/z int. rel.int.
  100 12 12
  102 27 27
  115 12 12
  124 20 20
  125 12 12
  126 27 27
  128 12 12
  137 63 63
  139 55 55
  140 20 20
  141 12 12
  142 121 121
  143 71 71
  148 12 12
  149 82 82
  151 27 27
  155 16 16
  156 12 12
  163 20 20
  164 16 16
  165 125 125
  166 31 31
  167 67 67
  170 196 196
  171 27 27
  172 20 20
  176 157 157
  177 31 31
  178 78 78
  180 78 78
  181 24 24
  183 27 27
  184 67 67
  185 24 24
  186 12 12
  192 12 12
  194 12 12
  195 24 24
  196 20 20
  197 16 16
  198 16 16
  202 31 31
  203 12 12
  204 24 24
  206 243 243
  208 999 999
  209 141 141
  210 24 24
  211 27 27
  212 31 31
  213 43 43
  214 12 12
  216 27 27
  217 20 20
  218 20 20
  219 12 12
  220 208 208
  221 31 31
  222 71 71
  223 16 16
  224 55 55
  225 24 24
  226 27 27
  230 24 24
  232 129 129
  233 31 31
  234 51 51
  235 20 20
  236 20 20
  238 172 172
  239 39 39
  240 153 153
  241 20 20
  242 20 20
  243 16 16
  244 71 71
  245 12 12
  246 35 35
  248 110 110
  249 94 94
  250 51 51
  251 63 63
  252 47 47
  253 12 12
  254 27 27
  258 55 55
  259 12 12
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  261 39 39
  262 94 94
  263 20 20
  264 20 20
  266 16 16
  267 24 24
  268 20 20
  270 90 90
  271 12 12
  272 35 35
  274 31 31
  275 35 35
  276 82 82
  277 24 24
  278 74 74
  284 27 27
  286 161 161
  287 24 24
  288 223 223
  289 24 24
  290 74 74
  291 12 12
  292 24 24
  294 184 184
  295 86 86
  296 74 74
  302 24 24
  303 121 121
  304 35 35
  305 43 43
  306 67 67
  308 12 12
  316 27 27
  318 51 51
  319 12 12
  320 59 59
  322 12 12
  331 16 16
  332 20 20
  334 243 243
  335 35 35
  336 129 129
  337 16 16
  338 12 12
  360 24 24
  362 12 12
  377 114 114
  378 16 16
  379 31 31
  429 16 16
  431 176 176
  432 31 31
  433 59 59
  434 16 16
  447 67 67
  448 16 16
  449 31 31
//