ACCESSION: MSBNK-BAFG-CSL23111016160
RECORD_TITLE: Dimoxystrobin; LC-ESI-QTOF; MS2; 140 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$NAME: Dimoxystrobin
CH$COMPOUND_CLASS: Fungicide
CH$FORMULA: C₁₉H₂₂N₂O₃
CH$EXACT_MASS: 326.163
CH$SMILES: CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=NOC)C(=O)NC
CH$IUPAC: InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)
CH$LINK: CAS 149961-52-4
CH$LINK: INCHIKEY WXUZAHCNPWONDH-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$MASS_SPECTROMETRY: COLLISION_ENERGY 140
AC$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 13.184 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 327.1703
MS$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$SPLASH: splash10-03di-9000000000-15ab4d7f80dd50535b02
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  36.0003 1.6 18
  37.0081 7.3 85
  38.0157 5 58
  39.0237 20.4 239
  41.0392 0.9 10
  49.0079 1.7 19
  50.0156 7 82
  51.0236 7.4 86
  58.0293 12.8 150
  60 2.2 25
  61.0081 18.4 215
  62.016 36.9 433
  63.0239 85.1 999
  64.0191 14.7 172
  64.0307 2 23
  65.039 3.9 45
  74.0158 3 35
  75.0119 1.3 15
  75.0232 2.9 34
  76.0198 1.4 16
  76.0316 1.5 17
  77.0391 4.2 49
  86.0173 1.3 15
  87.0102 1.3 15
  87.0239 1 11
  88.0201 3.1 36
  89.0389 35.6 417
  90.0339 2.1 24
  90.0466 1.9 22
  91.0552 0.9 10
  102.0457 1 11
  114.0345 1.1 12
  115.0551 1.8 21
  126.0483 1.1 12
  139.0544 1.8 21
  150.047 3.1 36
  151.0543 3.1 36
  152.0625 2.1 24
  163.055 3.4 39
  164.0597 1 11
  165.0712 1.3 15
  176.0617 2.1 24
  190.0662 1.1 12
//