MassBank Record: MSBNK-BAFG-CSL231109332
ACCESSION: MSBNK-BAFG-CSL231109332
RECORD_TITLE: Methyl-tris(4-fluorophenyl)phosphonium; LC-ESI-QTOF; MS2; 130 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$MASS_SPECTROMETRY: COLLISION_ENERGY 130
AC$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: splash10-00xs-3900000000-27ded683c9928f1050dc
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
57.0184 1.5 58
68.9743 1.8 70
74.0184 8.1 316
74.9818 8 312
75.0251 4.5 175
76.0323 1.9 74
78.9744 2.5 97
79.9823 5.2 202
83.0311 2 78
87.0236 1.7 66
91.9811 1.4 54
98.0156 9.8 382
98.9801 9 351
99.0243 3.9 152
100.0313 1.7 66
103.9802 1.9 74
107.0045 1.5 58
107.0296 2.6 101
110.0145 1.6 62
111.0239 1.6 62
120.0367 1.7 66
122.0163 4.7 183
122.9804 2.3 89
123.0227 5.7 222
124.0308 2.6 101
124.9947 25.6 999
133.048 1.3 50
144.0374 3.3 128
149.0395 5.9 230
150.0457 15.1 589
151.0379 1.4 54
155.0264 1.3 50
157.0455 1.5 58
167.0276 1.9 74
168.0363 16.3 636
169.0449 6.8 265
170.0512 3.9 152
175.0124 2 78
179.0042 4.1 159
180.0126 1.5 58
187.0365 2.2 85
188.0436 5.2 202
196.9947 3 117
198.0037 2.7 105
199.0101 7.9 308
217.0014 1.9 74
219.0168 1.4 54
//
system version 2.2.8-SNAPSHOT