MassBank Record: MSBNK-BAFG-CSL23111015572
ACCESSION: MSBNK-BAFG-CSL23111015572
RECORD_TITLE: [4(Acetyloxy)butyl](triphenyl)phosphonium; LC-ESI-QTOF; MS2; 150 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$NAME: [4(Acetyloxy)butyl](triphenyl)phosphonium
CH$COMPOUND_CLASS:
CH$FORMULA: C24H26O2P+
CH$EXACT_MASS: 377.1665
CH$SMILES: CC(=O)OCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
CH$IUPAC: InChI=1S/C24H26O2P/c1-21(25)26-19-11-12-20-27(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-10,13-18H,11-12,19-20H2,1H3/q+1
CH$LINK: CAS
6191-70-4
CH$LINK: INCHIKEY
UGDNEIBQZNPTEF-UHFFFAOYSA-N
AC$INSTRUMENT: TripleTOF 6600 SCIEX
AC$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 8.85 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 377.1665
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: splash10-0zfr-1900000000-aa3393159cd417772eea
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
56.9886 6.8 108
63.0225 10 159
65.0385 6.9 109
79.9798 9.2 146
80.9879 12.3 195
89.0367 15.7 249
102.0444 6.5 103
107.0031 41.8 664
113.0369 5.5 87
115.053 23 365
126.045 16.2 257
131.0029 7.3 116
133.019 5.3 84
139.0531 19.7 313
150.0454 13.8 219
151.0536 33.2 528
152.0615 62.8 999
156.0109 5.5 87
157.0202 30.5 485
181.0198 28.9 459
183.0357 11.6 184
226.0774 12.4 197
255.0351 5.9 93
257.0512 6.9 109
//