ACCESSION: MSBNK-Waters-WA002564
RECORD_TITLE: Nicardipine; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Nicardipine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₆H₂₉N₃O₆
CH$EXACT_MASS: 479.20564
CH$SMILES: c(c1)(N(=O)=O)cccc1C(C(C(=O)OC)=2)C(C(=O)OCCN(C)Cc(c3)cccc3)=C(NC2C)C
CH$IUPAC: InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3
CH$LINK: CAS 55985-32-5
CH$LINK: INCHIKEY ZBBHBTPTTSWHBA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6023363

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 16.250 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$SPLASH: splash10-014i-0193000000-50a21329e52317619949
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  105 168 168
  106 16 16
  111 16 16
  132 63 63
  148 247 247
  149 27 27
  165 27 27
  166 59 59
  168 20 20
  171 16 16
  176 16 16
  181 20 20
  182 16 16
  183 31 31
  184 12 12
  193 16 16
  196 20 20
  197 12 12
  198 12 12
  200 20 20
  208 24 24
  209 94 94
  210 172 172
  211 125 125
  212 24 24
  214 12 12
  217 31 31
  225 16 16
  226 313 313
  227 67 67
  228 16 16
  229 16 16
  235 12 12
  236 47 47
  237 39 39
  238 51 51
  239 47 47
  240 47 47
  241 27 27
  242 31 31
  247 133 133
  248 12 12
  249 12 12
  253 31 31
  254 227 227
  255 118 118
  256 55 55
  257 43 43
  258 12 12
  267 239 239
  268 259 259
  269 791 791
  270 133 133
  271 24 24
  281 20 20
  283 247 247
  284 55 55
  285 24 24
  298 282 282
  299 47 47
  313 59 59
  315 999 999
  316 196 196
  317 27 27
  331 27 27
  349 16 16
  359 239 239
  360 43 43
  381 12 12
  480 31 31
  514 16 16
//