ACCESSION: MSBNK-BAFG-CSL231109302
RECORD_TITLE: (2-Hydroxyethyl)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$NAME: (2-Hydroxyethyl)triphenylphosphonium
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: C₂₀H₂₀OP⁺
CH$EXACT_MASS: 307.1246
CH$SMILES: OCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
CH$IUPAC: InChI=1S/C20H20OP/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/q+1
CH$LINK: CAS 23250-03-5
CH$LINK: INCHIKEY VQNQTIUCMJTZGX-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 7.101 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$SPLASH: splash10-0zir-5900000000-395b790032dc73d13fb3
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  51.0302 6.1 100
  56.9942 9 148
  65.0428 7.4 121
  67.9846 3.3 54
  74.0189 9.8 161
  76.0334 7.8 128
  77.0405 7.5 123
  78.9748 9 148
  79.9826 26.7 439
  80.9907 29.2 480
  87.0239 8.9 146
  89.0391 20.1 330
  91.98 4.9 80
  98.0161 5.3 87
  102.0467 8.6 141
  103.9804 7.9 130
  104.9892 3.6 59
  107.0048 60.7 999
  113.0382 8.4 138
  115.055 12.1 199
  126.0455 17.2 283
  131.0035 7.4 121
  139.0533 9 148
  150.0463 28.9 475
  151.0541 25.4 418
  152.0615 18.3 301
  155.0056 8.5 139
  156.0115 5.4 88
  157.0203 10.1 166
  163.0535 3 49
  179.004 8.7 143
  180.012 8.2 134
  181.0195 19.4 319
  224.0626 7.6 125
//