MassBank Record: MSBNK-BAFG-CSL2311109875
ACCESSION: MSBNK-BAFG-CSL2311109875
RECORD_TITLE: Pindolol; LC-ESI-QTOF; MS2; 70 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$MASS_SPECTROMETRY: COLLISION_ENERGY 70
AC$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-7900000000-e98fb307d2337813d7c2
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
44.0615 0.6 22
56.0584 12.2 458
58.0739 6.1 229
65.0456 4.5 169
72.0875 3 112
74.0668 6.3 236
75.0302 0.4 15
77.0446 16 600
78.0392 3.9 146
79.06 7.6 285
80.0542 1 37
84.0844 0.5 18
89.0431 23.9 897
90.051 5.1 191
91.0586 24.5 920
92.0542 1.1 41
100.1159 1.5 56
101.0431 0.6 22
102.0505 1.5 56
103.0577 1.8 67
104.0528 11.6 435
105.0602 2.9 108
106.0689 7.4 277
107.052 9 338
114.0486 0.4 15
115.0572 18.3 687
116.0527 26.6 999
117.0607 26.4 991
118.0672 5.5 206
126.0511 1.1 41
127.0559 4.3 161
128.053 1.8 67
129.0609 1.3 48
130.0668 1.9 71
132.0464 0.8 30
133.0536 3.6 135
134.0615 3.5 131
141.0599 0.6 22
142.0672 3.7 138
143.0742 6.9 259
144.0819 1.7 63
154.068 1.2 45
170.0603 0.9 33
//