MassBank Record: MSBNK-BAFG-CSL231109363
ACCESSION: MSBNK-BAFG-CSL231109363
RECORD_TITLE: Tributyl(1,3-dioxolan-2-ylmethyl)phosphonium; LC-ESI-QTOF; MS2; 100 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$MASS_SPECTROMETRY: COLLISION_ENERGY 100
AC$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: splash10-0bvi-9000000000-257804dd3aa9ceaa7494
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
43.9886 7.7 51
44.997 22.2 148
45.041 13.1 87
46.0044 11.9 79
47.0114 13.6 90
55.9855 8.1 54
56.9948 101.9 680
59.0101 96.6 645
61.0257 149.5 999
62.0323 30.4 203
73.0303 29.6 197
75.0387 82.5 551
76.0462 66 441
//