ACCESSION: MSBNK-BAFG-CSL2311109883
RECORD_TITLE: Pindolol; LC-ESI-QTOF; MS2; 40 V
DATE: 2023.11.10
AUTHORS: Kevin S. Jewell; Björn Ehlig; Arne Wick
LICENSE: dl-de/by-2-0
COPYRIGHT: Copyright 2023 Federal Institute of Hydrology, Koblenz, Germany
COMMENT: CONFIDENCE Reference Standard (Level 1)
COMMENT: Chromatography method: dx.doi.org/10.1016/j.chroma.2015.11.014
COMMENT: Acquisition method: 10.1002/rcm.8541

CH$NAME: Pindolol
CH$COMPOUND_CLASS: Pharmaceutical
CH$FORMULA: C₁₄H₂₀N₂O₂
CH$EXACT_MASS: 248.1525
CH$SMILES: CC(C)NCC(COC1=CC=CC2=C1C=CN2)O
CH$IUPAC: InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
CH$LINK: CAS 13523-86-9
CH$LINK: INCHIKEY JZQKKSLKJUAGIC-UHFFFAOYSA-N

AC$INSTRUMENT: TripleTOF 5600 SCIEX
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: COLUMN_NAME Zorbax Eclipse Plus C18 2.1 mm x 150 mm, 3.5 um, Agilent
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 °C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 0 min min 98% A, 1 min 98% A, 2 min 80% A, 16.5 min 2% A, 22 min 2% A, 22.1 min 98% A, 27 min 98% A
AC$CHROMATOGRAPHY: FLOW_RATE 0.3 mL/min
AC$CHROMATOGRAPHY: RETENTION_TIME 5.148 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 249.1598
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: COMMENT Export with Spectra 1.9.12 MsBackendMassbank 1.7.4
MS$DATA_PROCESSING: WHOLE RMassBank 2.3.1

PK$SPLASH: splash10-01b9-3900000000-b49bd4338f0fb1759384
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  44.0615 0.8 18
  56.0591 24.2 549
  58.0739 10.2 231
  72.0875 16.6 376
  74.0667 26.6 603
  77.0456 2.4 54
  78.0409 0.5 11
  79.06 2.4 54
  80.0541 0.7 15
  84.0844 1 22
  86.1006 0.7 15
  89.0439 2.8 63
  90.0538 0.5 11
  91.0594 8.9 202
  98.0997 7.7 174
  100.1162 4.6 104
  103.0602 0.5 11
  104.0532 5.7 129
  105.0635 0.7 15
  106.0681 8.4 190
  107.0521 4.5 102
  115.0568 6.5 147
  116.0524 10.5 238
  116.1099 44 999
  117.0672 20.2 458
  118.0678 19.1 433
  127.0569 6 136
  128.0513 0.8 18
  128.0622 0.8 18
  129.0678 1.2 27
  130.0675 4.4 99
  132.0463 3.2 72
  132.0836 2.7 61
  133.0552 3.8 86
  134.0623 30.3 687
  142.0674 1.3 29
  143.0742 8.6 195
  144.0569 0.8 18
  144.0829 33.9 769
  145.0637 1.2 27
  146.062 19.6 445
  154.0669 1.8 40
  155.0582 0.6 13
  155.0728 0.6 13
  157.0551 1.8 40
  160.0775 1.9 43
  170.0623 1.2 27
  171.0648 0.5 11
  172.0763 19.6 445
  249.1577 8.4 190
//