ACCESSION: MSBNK-Waters-WA001964
RECORD_TITLE: Biperiden; 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$NAME: Biperiden
CH$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 75 V

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

PK$SPLASH: splash10-002f-0900000000-38a3b847fe82b90f4d6e
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  105 165 165
  110 20 20
  111 8 8
  112 106 106
  114 27 27
  115 172 172
  117 290 290
  118 24 24
  124 8 8
  127 12 12
  128 823 823
  129 137 137
  130 20 20
  131 27 27
  133 47 47
  141 59 59
  143 999 999
  144 110 110
  145 24 24
  155 39 39
  166 16 16
  167 24 24
  168 27 27
  181 8 8
  186 8 8
  218 24 24
  219 8 8
  228 35 35
  294 16 16
  312 31 31
//