MassBank Record: MSBNK-BAFG-CSL231109329
ACCESSION: MSBNK-BAFG-CSL231109329
RECORD_TITLE: Methyl-tris(4-fluorophenyl)phosphonium; LC-ESI-QTOF; MS2; 150 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$NAME: Methyl-tris(4-fluorophenyl)phosphonium
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: C19H15F3P+
CH$EXACT_MASS: 331.0858
CH$SMILES: C[P+](c1ccc(F)cc1)(c2ccc(F)cc2)c3ccc(F)cc3
CH$IUPAC: InChI=1S/C19H15F3P/c1-23(17-8-2-14(20)3-9-17,18-10-4-15(21)5-11-18)19-12-6-16(22)7-13-19/h2-13H,1H3/q+1
CH$LINK: CAS
18606-51-4
CH$LINK: INCHIKEY
RLZPVXZQPHPWED-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$MASS_SPECTROMETRY: COLLISION_ENERGY 150
AC$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 7.52 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 331.0858
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
MS$DATA_PROCESSING: COMMENT Export with Spectra 1.9.12 MsBackendMassbank 1.7.4
MS$DATA_PROCESSING: WHOLE RMassBank 2.3.1
PK$SPLASH: splash10-00di-9800000000-4eed9ae2d160b51f4e91
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
57.0193 3.3 270
68.9742 1.7 139
74.0176 12.2 999
74.9818 7 573
75.0251 4.6 376
78.9749 3.9 319
79.9835 6.9 565
81.0149 1.9 155
83.0308 1.1 90
85.0089 0.8 65
86.0152 1.5 122
87.0229 1.5 122
91.9823 1.2 98
92.9941 0.8 65
94.0226 1.3 106
98.0151 11.4 933
98.9798 7.4 605
99.0227 3.6 294
103.9815 2 163
104.9901 0.8 65
107.0294 1.5 122
110.0149 1.9 155
111.0215 1.3 106
120.0354 1.4 114
122.0146 6.2 507
122.981 1.8 147
123.0225 4.2 343
124.9946 11.6 949
127.9822 1.4 114
133.0417 0.6 49
144.0365 2.6 212
148.0303 0.7 57
149.039 3 245
150.0468 3.2 262
157.0418 1.2 98
162.0261 0.7 57
167.0285 1.9 155
168.0364 8.7 712
169.043 1.6 131
179.0036 1.8 147
186.0292 1.2 98
187.0388 0.9 73
188.0432 1.2 98
196.996 1.7 139
198.0027 1.1 90
199.0094 1.6 131
//
system version 2.2.8-SNAPSHOT