ACCESSION: MSBNK-BAFG-CSL2311109875
RECORD_TITLE: Pindolol; LC-ESI-QTOF; MS2; 70 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$MASS_SPECTROMETRY: COLLISION_ENERGY 70
AC$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$SPLASH: splash10-014i-7900000000-e98fb307d2337813d7c2
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  44.0615 0.6 22
  56.0584 12.2 458
  58.0739 6.1 229
  65.0456 4.5 169
  72.0875 3 112
  74.0668 6.3 236
  75.0302 0.4 15
  77.0446 16 600
  78.0392 3.9 146
  79.06 7.6 285
  80.0542 1 37
  84.0844 0.5 18
  89.0431 23.9 897
  90.051 5.1 191
  91.0586 24.5 920
  92.0542 1.1 41
  100.1159 1.5 56
  101.0431 0.6 22
  102.0505 1.5 56
  103.0577 1.8 67
  104.0528 11.6 435
  105.0602 2.9 108
  106.0689 7.4 277
  107.052 9 338
  114.0486 0.4 15
  115.0572 18.3 687
  116.0527 26.6 999
  117.0607 26.4 991
  118.0672 5.5 206
  126.0511 1.1 41
  127.0559 4.3 161
  128.053 1.8 67
  129.0609 1.3 48
  130.0668 1.9 71
  132.0464 0.8 30
  133.0536 3.6 135
  134.0615 3.5 131
  141.0599 0.6 22
  142.0672 3.7 138
  143.0742 6.9 259
  144.0819 1.7 63
  154.068 1.2 45
  170.0603 0.9 33
//