MassBank Record: MSBNK-Waters-WA002619
ACCESSION: MSBNK-Waters-WA002619
RECORD_TITLE: Oxybutynin; 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$NAME: Oxybutynin
CH$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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0ab9-0906000000-930c9499109af7455ec8
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
105 137 137
107 51 51
108 16 16
109 59 59
122 63 63
124 846 846
125 82 82
129 27 27
142 404 404
143 35 35
171 55 55
187 12 12
189 59 59
199 31 31
203 12 12
229 12 12
242 31 31
258 39 39
267 16 16
340 141 141
341 31 31
358 999 999
359 227 227
360 31 31
//