ACCESSION: MSBNK-Waters-WA000929
RECORD_TITLE: Bisoprolol; LC-ESI-Q; MS; POS; 75 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 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
//