ACCESSION: MSBNK-Waters-WA001963
RECORD_TITLE: Biperiden; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-004i-0900000000-26f2711f5c943b032cb4
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  105 114 114
  106 12 12
  110 24 24
  112 24 24
  115 329 329
  116 27 27
  117 192 192
  118 31 31
  127 24 24
  128 999 999
  129 149 149
  130 8 8
  131 12 12
  133 35 35
  141 35 35
  142 20 20
  143 204 204
  144 20 20
  145 31 31
  153 12 12
  155 47 47
  165 16 16
  166 12 12
  167 8 8
  168 16 16
  312 31 31
//