ACCESSION: MSBNK-BAFG-CSL2311109882
RECORD_TITLE: Pindolol; LC-ESI-QTOF; MS2; 60 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$MASS_SPECTROMETRY: COLLISION_ENERGY 60
AC$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$SPLASH: splash10-014i-4900000000-0a4dc731d35ec8e3467c
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  44.0589 0.6 16
  56.0585 21.2 598
  58.0735 9.1 256
  65.0461 2.6 73
  72.0874 6.5 183
  74.0658 11.8 333
  77.0443 11.1 313
  78.0409 2.1 59
  79.0591 7.1 200
  80.0556 0.8 22
  84.0838 1 28
  89.0434 15.5 437
  90.0506 2.8 79
  91.0584 26.4 745
  92.0545 1 28
  98.1014 1.1 31
  100.1157 2.6 73
  101.0423 0.6 16
  102.0371 0.4 11
  102.0486 0.8 22
  103.0575 2.1 59
  104.0529 12.6 355
  105.0614 2.4 67
  106.0683 11.7 330
  106.1059 0.4 11
  107.0516 11.9 335
  115.0575 18.3 516
  116.0522 35.4 999
  116.1115 3 84
  117.0621 32.3 911
  118.0676 15.1 426
  126.0481 0.7 19
  127.0564 6.9 194
  128.0464 0.6 16
  128.0573 2.2 62
  129.0582 1.8 50
  130.0669 2.8 79
  132.0464 1.8 50
  132.0835 1 28
  133.0541 5.5 155
  134.0613 11.8 333
  142.0657 3.5 98
  143.0748 12.4 349
  144.053 0.4 11
  144.082 8.8 248
  145.0644 0.5 14
  146.0613 2.1 59
  154.0656 2.2 62
  157.0541 0.8 22
  170.0591 1.7 47
  171.072 0.6 16
//