MassBank Record: MSBNK-BAFG-CSL2311096055
ACCESSION: MSBNK-BAFG-CSL2311096055
RECORD_TITLE: Dichlorvos; LC-ESI-QTOF; MS2; 50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50
AC$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: splash10-054o-9300000000-8cbd0a53ed759536728b
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
55.0601 2.9 199
59.9798 3.5 241
59.9992 0.4 27
65.0424 1.8 124
77.0404 5.4 372
78.9964 9.7 668
79.0565 3.1 213
91.0553 8.5 585
92.9731 0.6 41
94.946 9.2 633
94.9897 3.4 234
95.0503 0.5 34
96.9607 1.4 96
103.0536 0.9 62
107.0481 0.5 34
109.0046 14.5 999
111.9475 0.8 55
112.9571 0.9 62
115.0519 0.6 41
123.0431 0.5 34
127.0143 2.4 165
//