MassBank Record: MSBNK-BAFG-CSL2311109871
ACCESSION: MSBNK-BAFG-CSL2311109871
RECORD_TITLE: Pindolol; LC-ESI-QTOF; MS2; 110 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$MASS_SPECTROMETRY: COLLISION_ENERGY 110
AC$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: splash10-00n0-9200000000-093e5516d5cbc5cd430f
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
44.0626 0.4 25
56.0594 1.7 107
58.074 1.1 69
64.0373 0.9 56
65.0454 5 316
74.0223 1 63
75.0305 1.2 75
76.0369 0.9 56
77.0449 11.3 714
78.0449 3 189
79.046 1 63
88.0238 0.4 25
88.036 0.4 25
89.0428 15.8 999
90.0365 0.5 31
90.0496 2.9 183
91.058 3.2 202
102.0412 0.5 31
104.054 2.8 177
107.0535 0.6 37
114.0496 0.4 25
115.0578 3.7 233
116.0529 0.7 44
117.0606 2.7 170
141.0589 0.8 50
//