ACCESSION: MSBNK-Waters-WA002617
RECORD_TITLE: Oxybutynin; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Oxybutynin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₃₁NO₃
CH$EXACT_MASS: 357.23039
CH$SMILES: CCN(CC)CC#CCOC(=O)C(O)(C(C2)CCCC2)c(c1)cccc1
CH$IUPAC: InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3
CH$LINK: CAS 5633-20-5
CH$LINK: INCHIKEY XIQVNETUBQGFHX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0023406

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 15.200 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, 90 V

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

PK$SPLASH: splash10-0a4i-0900000000-2dec6344f914a4eeff46
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  100 20 20
  103 24 24
  105 999 999
  106 12 12
  107 654 654
  108 227 227
  109 98 98
  110 20 20
  115 35 35
  117 59 59
  118 74 74
  121 16 16
  122 59 59
  124 145 145
  125 20 20
  127 12 12
  128 43 43
  129 329 329
  130 31 31
  133 27 27
  142 595 595
  143 102 102
  155 20 20
  157 31 31
  166 12 12
  171 71 71
  183 12 12
  184 16 16
  189 43 43
  199 24 24
  340 12 12
  358 125 125
  359 27 27
//