MassBank Record: MSBNK-BAFG-CSL23111011548
ACCESSION: MSBNK-BAFG-CSL23111011548
RECORD_TITLE: Benzyltriphenylphosphonium; 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$NAME: Benzyltriphenylphosphonium
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 150
AC$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 8.706 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: splash10-0pw9-5900000000-f5d111227e6d502baed1
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
39.0232 11.4 301
51.0226 2.9 76
56.9889 3.4 89
62.0146 2.6 68
63.0225 9.1 240
65.038 31.2 824
79.9801 6.6 174
80.9876 12.6 333
89.0367 10.7 282
91.0529 22.9 605
102.0452 5.7 150
107.0032 37.8 999
113.0367 4.5 118
115.0528 12.3 325
126.0456 11.5 303
131.0043 4.4 116
133.0193 2.3 60
139.0534 10.6 280
150.046 11.3 298
151.0546 21.7 573
152.0614 26.8 708
155.0045 2.4 63
156.0127 4.5 118
157.0197 16.6 438
180.0136 3.1 81
181.0197 18.6 491
183.0372 1.9 50
//
system version 2.2.8-SNAPSHOT