MassBank Record: MSBNK-Waters-WA002617
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
//