ACCESSION: MSBNK-BAFG-CSL2311094891
RECORD_TITLE: Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide; LC-ESI-QTOF; MS2; 130 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$NAME: Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: C₂₂H₂₁O₂P
CH$EXACT_MASS: 348.1279
CH$SMILES: Cc1cc(C)c(c(C)c1)C(=O)[P](=O)(c2ccccc2)c3ccccc3
CH$IUPAC: InChI=1S/C22H21O2P/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3
CH$LINK: CAS 75980-60-8
CH$LINK: INCHIKEY VFHVQBAGLAREND-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 14.088 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 349.1352
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: COMMENT Export with Spectra 1.9.12 MsBackendMassbank 1.7.4
MS$DATA_PROCESSING: WHOLE RMassBank 2.3.1

PK$SPLASH: splash10-00ou-9200000000-de6f5bfa1a6e1460b99b
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  51.0293 15.1 153
  65.0434 55 558
  67.0568 1.1 11
  77.0421 98.4 999
  78.0493 33.9 344
  79.0567 7.9 80
  89.0402 1.8 18
  91.0563 90 913
  93.072 1.3 13
  102.0467 4.9 49
  103.0546 30.5 309
  104.0621 13.3 135
  115.054 22.3 226
  116.0614 1 10
  117.0702 5 50
  119.0848 3.1 31
//