MassBank Record: MSBNK-BAFG-CSL2311109872
ACCESSION: MSBNK-BAFG-CSL2311109872
RECORD_TITLE: Pindolol; LC-ESI-QTOF; MS2; 80 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$MASS_SPECTROMETRY: COLLISION_ENERGY 80
AC$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: splash10-014r-9600000000-90162258e1df0846c60f
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
44.0613 0.5 16
56.0572 7.4 242
58.0737 5 163
65.045 7.4 242
67.0474 0.4 13
72.0871 2 65
74.0662 2.5 81
75.0263 0.6 19
76.037 0.4 13
77.0444 21.7 710
78.039 5 163
79.0469 1.3 42
79.0591 4.9 160
80.0552 0.8 26
84.0867 0.5 16
89.0433 30.5 999
90.0505 6.7 219
91.0583 18.8 615
92.0539 0.5 16
100.1172 0.5 16
101.043 0.7 22
102.0423 0.8 26
102.0514 1 32
103.0465 0.7 22
103.0582 0.8 26
104.0529 10.1 330
105.0602 1.8 58
106.0669 2.7 88
107.0521 5.9 193
115.0565 11.3 370
116.0514 14.8 484
117.0598 17.7 579
118.0669 1.7 55
126.0491 0.8 26
127.0556 1.7 55
128.0545 1.4 45
130.0669 1.1 36
132.0464 0.6 19
133.054 2.4 78
134.0632 1.1 36
141.0592 1.1 36
142.0661 3.1 101
143.0736 2 65
//