MassBank Record: MSBNK-BAFG-CSL23111011914
ACCESSION: MSBNK-BAFG-CSL23111011914
RECORD_TITLE: Isopropyltriphenylphosphonium; LC-ESI-QTOF; MS2; 140 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$NAME: Isopropyltriphenylphosphonium
CH$COMPOUND_CLASS:
CH$FORMULA: C21H22P+
CH$EXACT_MASS: 305.1454
CH$SMILES: CC(C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
CH$IUPAC: InChI=1S/C21H22P/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3/q+1
CH$LINK: CAS
24470-78-8
CH$LINK: INCHIKEY
PXIMQGSMXJFQOF-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$MASS_SPECTROMETRY: COLLISION_ENERGY 140
AC$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 7.721 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 305.1454
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: splash10-0zgi-4900000000-bbc1a964462bbd4f265e
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
39.0233 4.4 78
50.015 3 53
51.0227 4.3 76
56.9888 7.1 126
62.0142 4.2 74
63.0226 13.7 243
65.0376 6.3 111
74.014 6.5 115
76.0289 6 106
77.0371 5 88
78.0454 3.2 56
78.9721 3.6 63
79.98 16.4 291
80.9876 20.7 367
86.0134 3 53
87.0205 7.2 127
89.0365 19.6 348
98.0121 3.9 69
102.0441 8.8 156
103.979 5.8 103
104.986 3.7 65
107.0026 56.2 999
113.0368 6.5 115
115.0525 13.3 236
125.0373 2.9 51
126.0447 18.9 335
131.0025 7.8 138
139.0528 9.1 161
150.0455 24.2 430
151.0532 28.7 510
152.0603 21.6 383
155.0026 7.3 129
156.0114 5.4 95
157.0193 12.7 225
179.0026 6.9 122
180.0112 8.9 158
181.0184 21.7 385
//