ACCESSION: MSBNK-BAFG-CSL23111011520
RECORD_TITLE: (Methoxymethyl)triphenylphosphonium; LC-ESI-QTOF; MS2; 130 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$MASS_SPECTROMETRY: COLLISION_ENERGY 130
AC$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 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$SPLASH: splash10-0zfr-2900000000-af857cb0a77c2b1a0af1
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  45.0337 13.5 446
  56.9887 2.7 89
  63.0225 5.2 172
  65.0379 2.9 95
  74.0137 1.9 62
  76.029 1.9 62
  77.0368 2.6 86
  78.972 1.8 59
  79.9793 4 132
  80.9875 9.3 307
  87.0215 2.3 76
  89.0372 11 363
  102.0447 4.5 148
  103.9796 2.2 72
  107.0031 30.2 999
  113.0383 3 99
  115.0529 12.6 416
  126.0459 12 396
  131.003 3.6 119
  133.0182 1.7 56
  139.0541 10 330
  150.046 11.9 393
  151.0547 16.5 545
  152.0614 28.2 932
  155.0047 2.6 86
  156.0117 3.8 125
  157.0202 14.1 466
  179.0066 1.5 49
  180.0124 3.9 129
  181.0199 15.9 525
  183.0362 2.3 76
//