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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)

ACCESSION: WA000928
RECORD_TITLE: Bisoprolol; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Bisoprolol
CH$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
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  117 59 59
  118 145 145
  119 55 55
  121 71 71
  126 8 8
  129 8 8
  133 67 67
  134 20 20
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  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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