ACCESSION: MSBNK-Waters-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: 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 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
//