MassBank Record: WA000928



 Bisoprolol; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000928
RECORD_TITLE: Bisoprolol; LC-ESI-Q; MS; POS; 90 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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0aor-0901000000-077ad522f409d215850a PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 103 43 43 104 39 39 105 176 176 106 8 8 107 999 999 108 71 71 115 51 51 116 619 619 117 59 59 118 145 145 119 55 55 121 71 71 126 8 8 129 8 8 133 67 67 134 20 20 137 8 8 144 8 8 145 31 31 147 24 24 148 12 12 162 20 20 163 8 8 326 321 321 327 59 59 328 8 8 //

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