ACCESSION: MSBNK-BAFG-CSL23111011514
RECORD_TITLE: (Methoxymethyl)triphenylphosphonium; LC-ESI-QTOF; MS2; 140 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$NAME: (Methoxymethyl)triphenylphosphonium
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: C₂₀H₂₀OP⁺
CH$EXACT_MASS: 307.1246
CH$SMILES: COC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
CH$IUPAC: InChI=1S/C20H20OP/c1-21-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3/q+1
CH$LINK: CAS 4009-98-7
CH$LINK: INCHIKEY SDMCZCALYDCRBH-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$MASS_SPECTROMETRY: COLLISION_ENERGY 140
AC$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 7.502 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 307.1246
MS$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$SPLASH: splash10-0pc0-5900000000-369659d2c603dbeb5b55
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  39.0232 1.8 72
  45.0338 11.5 461
  50.0149 1.7 68
  51.0232 1.8 72
  56.9891 2.6 104
  62.0148 2.3 92
  63.0226 5.7 228
  65.0382 3.1 124
  67.9801 1.4 56
  74.0137 2.8 112
  75.0222 1.3 52
  76.0295 3.2 128
  77.0373 2.6 104
  78.9714 2.4 96
  79.9799 4.9 196
  80.9875 9.9 397
  86.0127 1.7 68
  87.0209 3 120
  89.0369 11 441
  91.9779 1.5 60
  98.0137 1.9 76
  102.0442 4 160
  103.9792 2.5 100
  104.9865 1.5 60
  107.0031 24.9 999
  113.0378 3.2 128
  115.0533 7.6 304
  125.038 1.4 56
  126.0456 9.4 377
  131.0043 3.1 124
  139.052 5.4 216
  150.0462 6.2 248
  151.0534 12.8 513
  152.0611 14.1 565
  155.0037 3.1 124
  156.0125 3.1 124
  157.0201 7 280
  179.0035 2.6 104
  180.013 4.6 184
  181.019 10.4 417
//