ACCESSION: MSBNK-Waters-WA001966
RECORD_TITLE: Biperiden; 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$NAME: Biperiden
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₉NO
CH$EXACT_MASS: 311.22491
CH$SMILES: C(C4)CCN(C4)CCC(O)(c(c3)cccc3)C(C1)C(C=2)CC(C2)1
CH$IUPAC: InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2
CH$LINK: CAS 514-65-8
CH$LINK: INCHIKEY YSXKPIUOCJLQIE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022680

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 14.430 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$SPLASH: splash10-03di-0159000000-33868fcfde8008b259f3
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  105 8 8
  112 27 27
  113 12 12
  114 12 12
  131 8 8
  143 161 161
  144 12 12
  209 16 16
  218 59 59
  219 55 55
  228 86 86
  229 8 8
  246 98 98
  247 8 8
  294 364 364
  295 82 82
  296 8 8
  312 999 999
  313 235 235
  314 31 31
  315 8 8
//