MassBank Record: MSBNK-BAFG-CSL231109357
ACCESSION: MSBNK-BAFG-CSL231109357
RECORD_TITLE: (4-Chlorobenzyl)-triphenylphosphonium; LC-ESI-QTOF; MS2; 150 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$NAME: (4-Chlorobenzyl)-triphenylphosphonium
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: C25H21ClP+
CH$EXACT_MASS: 387.1064
CH$SMILES: Clc1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1
CH$IUPAC: InChI=1S/C25H21ClP/c26-22-18-16-21(17-19-22)20-27(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19H,20H2/q+1
CH$LINK: CAS
1530-39-8
CH$LINK: INCHIKEY
APCNUVQAZQVSLQ-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 9.6 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 387.1064
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: splash10-0k9i-5900000000-ef8e598a916f70b405dc
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
72.986 8.9 345
79.9825 1.5 58
80.9917 3.1 120
89.0398 25.7 999
90.0467 4.8 186
98.9999 9.4 365
107.0045 14 544
115.0542 6.4 248
125.015 4.5 174
126.0472 4.1 159
133.0202 1.3 50
139.0546 5.5 213
150.0478 3.6 139
151.0539 8.4 326
152.0624 15.1 586
156.0114 1.9 73
157.0203 7.1 275
181.0204 6.7 260
183.0369 1.7 66
//