MassBank Record: MSBNK-BAFG-CSL231109338
ACCESSION: MSBNK-BAFG-CSL231109338
RECORD_TITLE: Methyl-tris(4-fluorophenyl)phosphonium; 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$NAME: Methyl-tris(4-fluorophenyl)phosphonium
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 120
AC$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 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: splash10-0g4j-2900000000-6a7d72048d10adaa2e04
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
57.0202 1.9 52
68.9736 2.8 77
74.0175 7.5 206
74.9821 7.8 214
75.0258 4.7 129
76.034 2 55
78.9736 2.7 74
79.9825 7.1 195
83.0319 3.1 85
98.0158 7.8 214
98.9801 8.2 225
99.0224 3.5 96
100.0297 1.8 49
107.0289 2.1 57
122.0161 3.3 90
122.981 2.1 57
123.0232 6 165
124.0316 3.4 93
124.9956 36.3 999
126.0468 1.9 52
133.0453 3.2 88
144.036 4.9 134
149.039 10 275
150.0467 28.3 778
151.0347 2.2 60
151.0529 3.7 101
157.0452 2.6 71
168.0364 19.1 525
169.0459 11.7 321
170.0525 9.2 253
175.0107 2.8 77
179.0049 5.2 143
181.0212 3.4 93
187.0342 3 82
188.0439 14.2 390
193.0021 3.9 107
196.9968 2.1 57
198.0022 4.8 132
199.0106 15.4 423
217.0065 2.4 66
219.0169 5.8 159
//
system version 2.2.8-SNAPSHOT