MassBank Record: MSBNK-BAFG-CSL23111011538
ACCESSION: MSBNK-BAFG-CSL23111011538
RECORD_TITLE: Benzyltriphenylphosphonium; LC-ESI-QTOF; MS2; 130 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$NAME: Benzyltriphenylphosphonium
CH$COMPOUND_CLASS:
CH$FORMULA: C25H22P+
CH$EXACT_MASS: 353.1454
CH$SMILES: C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
CH$IUPAC: InChI=1S/C25H22P/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2/q+1
CH$LINK: CAS
15853-35-7
CH$LINK: INCHIKEY
BNQRPLGZFADFGA-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 8.706 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 353.1454
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: splash10-1000-3900000000-1185626b0d0352d3ab72
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
39.0234 12.6 165
63.0225 7.1 93
65.0383 53.4 702
80.9874 10.6 139
89.0367 11 144
91.0526 49.3 648
102.045 4.8 63
107.0032 61.2 805
113.0376 4 52
115.0529 25.2 331
126.0452 12.5 164
131.0035 4.7 61
133.0187 6.2 81
139.0538 21.2 279
150.0458 7.8 102
151.054 26.2 344
152.0619 75.9 999
156.0115 4.9 64
157.0196 40.2 529
181.0199 23.7 311
183.0356 13.4 176
//
system version 2.2.8-SNAPSHOT