ACCESSION: MSBNK-Waters-WA001962
RECORD_TITLE: Buclizine; LC-ESI-Q; MS; POS; 15 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 15 V

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

PK$SPLASH: splash10-001i-0000900000-4e68227387e0f7dac03d
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  231 24 24
  233 20 20
  235 8 8
  242 8 8
  288 8 8
  397 16 16
  399 8 8
  433 999 999
  434 309 309
  435 372 372
  436 110 110
  437 8 8
//