MassBank Record: MSBNK-BAFG-CSL2311093155
ACCESSION: MSBNK-BAFG-CSL2311093155
RECORD_TITLE: Ethyldiphenylphosphine oxide; LC-ESI-QTOF; MS2; 120 V
DATE: 2023.11.09
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$NAME: Ethyldiphenylphosphine oxide
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: C14H15OP
CH$EXACT_MASS: 230.0861
CH$SMILES: CC[P](=O)(c1ccccc1)c2ccccc2
CH$IUPAC: InChI=1S/C14H15OP/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
CH$LINK: CAS
1733-57-9
CH$LINK: INCHIKEY
AKTGKEBIBGSCLD-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$MASS_SPECTROMETRY: COLLISION_ENERGY 120
AC$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 8.816 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 231.0933
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: splash10-0udi-9700000000-5976a794df655dcd5d42
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
47.0004 3.1 177
51.0297 17.4 999
52.0359 2 114
56.9937 2.8 160
65.0434 2.4 137
67.9853 1.1 63
68.9922 1 57
74.018 4.2 241
75.0258 1.7 97
76.0339 2.3 132
77.0412 9.2 528
78.0493 2.9 166
78.9762 1 57
79.9833 2.8 160
80.9912 2.8 160
86.0176 1.2 68
87.0252 2 114
89.0406 2.9 166
98.0158 1.7 97
99.0244 0.9 51
102.0464 2.8 160
103.9813 1.1 63
107.0046 4.3 246
113.0368 0.9 51
115.0535 1.8 103
115.9825 0.9 51
125.0395 1.6 91
126.0465 6.9 396
139.0545 1.4 80
149.0393 1.1 63
150.0464 8.9 510
151.0542 8.9 510
152.0623 6.5 373
157.0203 1.5 86
163.0531 1.4 80
179.0042 1.4 80
181.0209 1.9 109
//