ACCESSION: MSBNK-Waters-WA002618
RECORD_TITLE: Oxybutynin; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-0abc-0900000000-191fe35eecd6488a1dae
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  100 27 27
  105 834 834
  106 12 12
  107 404 404
  108 172 172
  109 184 184
  110 20 20
  111 12 12
  113 12 12
  114 16 16
  115 16 16
  117 31 31
  118 20 20
  122 165 165
  124 846 846
  125 86 86
  128 12 12
  129 231 231
  130 24 24
  131 12 12
  140 12 12
  141 12 12
  142 999 999
  143 110 110
  144 12 12
  155 12 12
  157 31 31
  169 12 12
  171 157 157
  172 20 20
  173 27 27
  181 24 24
  183 24 24
  184 24 24
  185 24 24
  186 16 16
  187 20 20
  189 129 129
  190 20 20
  199 71 71
  200 12 12
  203 16 16
  211 12 12
  212 20 20
  229 16 16
  242 16 16
  258 24 24
  267 12 12
  340 59 59
  341 16 16
  358 349 349
  359 74 74
  360 12 12
//