MassBank Record: MSBNK-BAFG-CSL2311109874
ACCESSION: MSBNK-BAFG-CSL2311109874
RECORD_TITLE: Pindolol; LC-ESI-QTOF; MS2; 100 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$MASS_SPECTROMETRY: COLLISION_ENERGY 100
AC$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: splash10-00n3-9300000000-0a19901299c3242defe9
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
56.0584 3 122
58.0721 2.3 93
60.0099 0.5 20
64.0372 0.5 20
65.0461 6.6 269
67.0469 0.4 16
72.0875 0.5 20
74.0221 0.6 24
74.0651 0.5 20
75.0304 1 40
76.0369 1.1 44
77.0444 17.2 701
78.0411 3.8 154
79.0596 2.3 93
87.0291 0.4 16
88.0362 0.5 20
89.0433 24.5 999
90.0505 6 244
91.0592 6.6 269
92.056 0.6 24
101.0422 0.6 24
102.0351 0.4 16
102.0485 0.5 20
103.0498 0.5 20
104.0532 6.1 248
105.0594 0.6 24
107.0542 1.3 53
114.0452 0.5 20
115.0565 6.8 277
116.0529 3.1 126
117.0591 4.7 191
126.0472 0.6 24
128.0533 0.4 16
133.0537 0.6 24
141.059 0.5 20
142.067 0.7 28
//