MassBank Record: MSBNK-BAFG-CSL2311096043
ACCESSION: MSBNK-BAFG-CSL2311096043
RECORD_TITLE: Dichlorvos; LC-ESI-QTOF; MS2; 40 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$NAME: Dichlorvos
CH$COMPOUND_CLASS: Insecticide; Transformation_product; Pharmaceutical
CH$FORMULA: C4H7Cl2O4P
CH$EXACT_MASS: 219.9459
CH$SMILES: CO[P](=O)(OC)OC=C(Cl)Cl
CH$IUPAC: InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3
CH$LINK: CAS
62-73-7
CH$LINK: INCHIKEY
OEBRKCOSUFCWJD-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$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$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 9.126 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 220.9532
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: COMMENT Export with Spectra 1.9.12 MsBackendMassbank 1.7.4
MS$DATA_PROCESSING: WHOLE RMassBank 2.3.1
PK$SPLASH: splash10-0a6r-8900000000-7be3bc4d6dfd77667e0f
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
55.0582 2.7 78
59.9794 1.6 46
65.0407 0.4 11
77.0405 4.2 121
78.9962 9.6 277
79.0561 2.9 83
82.947 0.5 14
91.0549 5.5 159
92.9765 0.6 17
94.9455 6.1 176
94.9879 2 57
95.0532 0.4 11
96.9607 1.7 49
107.0501 0.5 14
109.0045 34.5 999
112.953 0.9 26
115.053 0.6 17
123.0425 0.5 14
127.0146 4.1 118
144.9786 0.9 26
220.9535 1.3 37
//