MassBank Record: WA000929



 Bisoprolol; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000929
RECORD_TITLE: Bisoprolol; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (2007.08.01, 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-066r-0900000000-e4cfde91b30fda64bbc7 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 103 12 12 105 129 129 107 607 607 108 43 43 115 20 20 116 999 999 117 86 86 118 20 20 119 78 78 121 67 67 133 82 82 134 16 16 137 8 8 144 8 8 145 59 59 147 51 51 148 8 8 162 27 27 163 12 12 204 8 8 326 200 200 327 39 39 //

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