ACCESSION: MSBNK-BAFG-CSL23111015572
RECORD_TITLE: [4(Acetyloxy)butyl](triphenyl)phosphonium; LC-ESI-QTOF; MS2; 150 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$NAME: [4(Acetyloxy)butyl](triphenyl)phosphonium
CH$COMPOUND_CLASS:
CH$FORMULA: C₂₄H₂₆O₂P⁺
CH$EXACT_MASS: 377.1665
CH$SMILES: CC(=O)OCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
CH$IUPAC: InChI=1S/C24H26O2P/c1-21(25)26-19-11-12-20-27(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-10,13-18H,11-12,19-20H2,1H3/q+1
CH$LINK: CAS 6191-70-4
CH$LINK: INCHIKEY UGDNEIBQZNPTEF-UHFFFAOYSA-N

AC$INSTRUMENT: TripleTOF 6600 SCIEX
AC$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 8.85 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 377.1665
MS$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$SPLASH: splash10-0zfr-1900000000-aa3393159cd417772eea
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  56.9886 6.8 108
  63.0225 10 159
  65.0385 6.9 109
  79.9798 9.2 146
  80.9879 12.3 195
  89.0367 15.7 249
  102.0444 6.5 103
  107.0031 41.8 664
  113.0369 5.5 87
  115.053 23 365
  126.045 16.2 257
  131.0029 7.3 116
  133.019 5.3 84
  139.0531 19.7 313
  150.0454 13.8 219
  151.0536 33.2 528
  152.0615 62.8 999
  156.0109 5.5 87
  157.0202 30.5 485
  181.0198 28.9 459
  183.0357 11.6 184
  226.0774 12.4 197
  255.0351 5.9 93
  257.0512 6.9 109
//