ACCESSION: MSBNK-Waters-WA001960
RECORD_TITLE: Buclizine; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Buclizine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₈H₃₃ClN₂
CH$EXACT_MASS: 432.23323
CH$SMILES: C(C3)N(CCN(Cc(c4)ccc(c4)C(C)(C)C)3)C(c(c2)cccc2)c(c1)ccc(c1)Cl
CH$IUPAC: InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3
CH$LINK: CAS 82-95-1
CH$LINK: INCHIKEY MOYGZHXDRJNJEP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0022694

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 18.310 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$SPLASH: splash10-0udi-0090000000-3ff6fcd71eaaec11a449
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  106 8 8
  147 71 71
  148 8 8
  165 8 8
  166 20 20
  167 24 24
  201 999 999
  202 137 137
  203 333 333
  204 43 43
  231 82 82
  232 16 16
  397 12 12
  433 55 55
  434 16 16
  435 20 20
//