ACCESSION: MSBNK-BAFG-CSL2311109877
RECORD_TITLE: Pindolol; LC-ESI-QTOF; MS2; 90 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$MASS_SPECTROMETRY: COLLISION_ENERGY 90
AC$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$SPLASH: splash10-0170-9400000000-2ed63f079f8a92780caf
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  42.0471 0.6 20
  44.0624 0.4 13
  56.0589 5.7 198
  57.0434 0.4 13
  58.0736 3 104
  65.0463 8.1 281
  72.0846 0.7 24
  72.0921 0.6 20
  74.066 1.5 52
  75.0295 0.8 27
  76.0341 0.8 27
  77.0446 19.5 678
  78.0417 3.9 135
  79.046 0.8 27
  79.0605 3.1 107
  89.0435 28.7 999
  90.0369 0.7 24
  90.0503 5.6 194
  91.0583 11.3 393
  101.0404 0.5 17
  102.0503 2.2 76
  103.0546 1.2 41
  104.054 6.9 240
  105.0346 0.5 17
  105.0626 1.3 45
  106.0671 0.9 31
  107.0521 2.3 80
  115.0565 9.2 320
  116.0523 7.2 250
  117.06 11.1 386
  118.068 0.6 20
  126.0499 0.6 20
  127.0544 0.7 24
  128.0515 0.7 24
  130.0683 0.6 20
  132.0487 0.8 27
  133.0559 1.4 48
  141.0576 0.5 17
  142.066 1.5 52
  143.0729 0.9 31
  154.066 0.7 24
//