MassBank Record: MSBNK-Waters-WA000931
ACCESSION: MSBNK-Waters-WA000931
RECORD_TITLE: Bisoprolol; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Bisoprolol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H31NO4
CH$EXACT_MASS: 325.22531
CH$SMILES: CC(C)OCCOCc(c1)ccc(OCC(O)CNC(C)C)c1
CH$IUPAC: InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3
CH$LINK: CAS
66722-44-9
CH$LINK: INCHIKEY
VHYCDWMUTMEGQY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6022682
AC$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$CHROMATOGRAPHY: RETENTION_TIME 12.350 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00or-0609000000-c8dddff9cacd6990b53b
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
116 897 897
117 47 47
222 43 43
326 999 999
327 196 196
328 24 24
//