MassBank Record: MSBNK-BAFG-CSL23111010834
ACCESSION: MSBNK-BAFG-CSL23111010834
RECORD_TITLE: Tribenzylphosphine oxide; LC-ESI-QTOF; MS2; 140 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$NAME: Tribenzylphosphine oxide
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: C21H21OP
CH$EXACT_MASS: 320.133
CH$SMILES: C1=CC=C(C=C1)CP(=O)(CC2=CC=CC=C2)CC3=CC=CC=C3
CH$IUPAC: InChI=1S/C21H21OP/c22-23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2
CH$LINK: CAS
4538-55-0
CH$LINK: INCHIKEY
RDLZJCXTAYHYHX-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$MASS_SPECTROMETRY: COLLISION_ENERGY 140
AC$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 11.644 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 321.1403
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: splash10-014l-9000000000-4cd0ffaca23df72d6075
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
36.0124 1 13
37.0223 4.3 57
50.026 3.7 49
51.0338 9.1 120
61.0166 1.5 19
62.0236 4.6 61
63.0314 10.2 135
65.047 75.3 999
77.0444 3.7 49
89.043 1.5 19
91.0597 49.1 651
115.0561 1 13
163.0568 1.6 21
164.0655 0.8 10
//