ACCESSION: MSBNK-BAFG-CSL231109360
RECORD_TITLE: Tributyl(1,3-dioxolan-2-ylmethyl)phosphonium; LC-ESI-QTOF; MS2; 70 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$NAME: Tributyl(1,3-dioxolan-2-ylmethyl)phosphonium
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: [C16H34O2P]+
CH$EXACT_MASS: 289.2291
CH$SMILES: CCCC[P+](CCCC)(CCCC)CC1OCCO1
CH$IUPAC: InChI=1S/C16H34O2P/c1-4-7-12-19(13-8-5-2,14-9-6-3)15-16-17-10-11-18-16/h16H,4-15H2,1-3H3/q+1
CH$LINK: CAS 115754-62-6
CH$LINK: INCHIKEY UZFMTNNVUZWLQV-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$MASS_SPECTROMETRY: COLLISION_ENERGY 70
AC$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 8.761 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 289.2291
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: splash10-004i-9100000000-95c58706dd225834bbc1
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  56.9946 56.1 130
  59.0098 57 132
  61.0259 174.9 405
  62.033 79.7 184
  73.031 53.4 123
  75.0394 158.8 368
  76.0471 430.4 999
  89.0522 32 74
  90.0609 145.2 337
  103.0677 27.4 63
  105.0828 21.6 50
  131.0991 59.3 137
  145.1146 37.5 87
  161.1459 36.6 84
  173.1455 23.2 53
  217.2086 33.3 77
//
