ACCESSION: MSBNK-BAFG-CSL231109299
RECORD_TITLE: (2-Hydroxyethyl)triphenylphosphonium; LC-ESI-QTOF; MS2; 140 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$MASS_SPECTROMETRY: COLLISION_ENERGY 140
AC$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 7.101 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$SPLASH: splash10-0zgi-3900000000-d410b564f336da8932be
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  51.0301 6 83
  56.9943 6.4 89
  65.0421 5.9 82
  67.9841 3.9 54
  74.0178 6.4 89
  76.0336 6 83
  77.0402 7.4 103
  78.9746 6.9 96
  79.983 20.6 287
  80.9908 31.2 435
  87.0236 6.5 90
  89.0395 18.9 264
  91.9811 4.1 57
  98.015 4.8 67
  102.046 9.3 129
  103.9812 6.3 88
  104.9882 3.6 50
  107.0049 71.5 999
  113.0386 7.4 103
  115.0548 16.6 231
  126.0459 22.2 310
  131.0048 9.2 128
  133.0201 4 55
  139.0542 14.5 202
  150.0462 27.6 385
  151.0542 37 516
  152.0622 32.7 456
  155.0042 7.2 100
  156.0134 7.9 110
  157.02 19.4 271
  163.0536 3.6 50
  179.0035 5.6 78
  180.0116 9.5 132
  181.0205 28.2 394
  224.0618 6 83
  255.0368 4.2 58
//