ACCESSION: MSBNK-BAFG-CSL2311109870
RECORD_TITLE: Pindolol; LC-ESI-QTOF; MS2; 50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50
AC$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$SPLASH: splash10-014l-3900000000-f582fc3e4595052f0ba2
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  44.0635 1.2 34
  56.0591 30.1 864
  57.0437 0.5 14
  58.0741 11.6 333
  72.0874 12.8 367
  74.0663 22.7 651
  77.0443 4.7 134
  78.0416 1.3 37
  79.0597 5.2 149
  80.055 0.8 22
  84.0864 1.2 34
  89.0432 6.3 180
  90.0497 1.2 34
  91.0586 19.2 551
  92.0536 0.6 17
  98.0996 2.3 66
  100.1153 5.9 169
  103.0581 1.6 45
  104.0527 9.8 281
  105.035 0.4 11
  105.0612 1.8 51
  105.0745 0.5 14
  106.0681 13.5 387
  106.0995 0.6 17
  107.0525 8.7 249
  115.0569 13.8 396
  116.0524 33.2 953
  116.1093 9.6 275
  117.0658 34.8 999
  118.068 27 775
  127.0561 10.4 298
  128.0571 2.7 77
  129.0605 2.2 63
  130.0675 6 172
  132.0452 3.7 106
  132.0828 2.5 71
  133.0531 6.4 183
  134.0618 28.4 815
  142.0675 2.5 71
  143.0744 16.4 470
  144.057 1.4 40
  144.0823 26.6 763
  145.0657 1 28
  146.0613 8.5 244
  154.0661 2.9 83
  155.0559 1.3 37
  155.0719 0.5 14
  157.0546 2 57
  160.0764 0.8 22
  170.0615 1.7 48
  171.069 0.9 25
  172.0749 1.9 54
//