ACCESSION: MSBNK-Waters-WA002565
RECORD_TITLE: Nicardipine; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-014i-0649000000-38fe521ed860cd787fe1
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  105 114 114
  132 27 27
  148 740 740
  149 74 74
  166 501 501
  167 47 47
  210 24 24
  226 51 51
  240 27 27
  247 63 63
  254 51 51
  255 35 35
  257 12 12
  267 86 86
  268 47 47
  269 219 219
  270 39 39
  283 114 114
  284 20 20
  298 133 133
  299 24 24
  313 16 16
  315 999 999
  316 439 439
  317 51 51
  331 24 24
  349 63 63
  359 364 364
  360 63 63
  480 39 39
//