MassBank Record: MSBNK-BAFG-CSL2311106533
ACCESSION: MSBNK-BAFG-CSL2311106533
RECORD_TITLE: Tributylphosphine oxide; LC-ESI-QTOF; MS2; 40 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$NAME: Tributylphosphine oxide
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: C12H27OP
CH$EXACT_MASS: 218.18
CH$SMILES: CCCC[P](=O)(CCCC)CCCC
CH$IUPAC: InChI=1S/C12H27OP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3
CH$LINK: CAS
814-29-9
CH$LINK: INCHIKEY
MNZAKDODWSQONA-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$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$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 11.114 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 219.1872
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-9670000000-abf364d407358caeb645
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
55.0607 9.1 14
57.0758 20.9 33
61.0256 17 27
63.0048 79.3 127
77.0185 50.2 80
78.0268 297.7 478
89.0529 16.4 26
91.0324 12.5 20
92.0411 254.4 409
103.0679 9.3 14
105.0467 22.6 36
105.0694 6.8 10
106.0538 17.3 27
107.0624 38.1 61
119.0621 7.7 12
120.0699 18.8 30
133.0779 39.3 63
135.0927 9.5 15
145.1082 6.5 10
147.0936 52.4 84
161.109 38.5 61
163.1249 168.1 270
175.1244 37 59
177.1399 8.3 13
191.1559 32.7 52
219.1877 621.1 999
//