ACCESSION: MSBNK-BAFG-CSL23111016159
RECORD_TITLE: Dimoxystrobin; LC-ESI-QTOF; MS2; 110 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$MASS_SPECTROMETRY: COLLISION_ENERGY 110
AC$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$SPLASH: splash10-03dr-9100000000-5c4c2ad8518ecdd6084f
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  37.008 4.2 28
  38.016 2.8 19
  39.0241 20.3 139
  41.039 2.1 14
  50.016 3.1 21
  51.0237 5.5 37
  58.0298 54.2 372
  61.0079 9.3 63
  62.0161 23.5 161
  63.024 131.3 901
  64.0193 19.3 132
  65.0393 11.2 76
  66.0345 1.9 13
  75.0248 2.1 14
  77.0396 8 54
  88.0187 5.1 35
  89.0396 145.5 999
  90.035 11.3 77
  90.0462 11.4 78
  91.0541 4 27
  114.0352 1.5 10
  115.0545 2.3 15
  116.0499 9.7 66
  117.0575 3 20
  128.0531 1.8 12
  139.0555 2 13
  150.0472 2.2 15
  151.0544 4.5 30
  152.0624 6.7 46
  163.0562 2.3 15
  164.0633 3.3 22
  165.0706 6 41
  176.0611 5.7 39
  177.0699 1.6 10
  178.0775 2.3 15
  189.0707 2.4 16
  190.0652 1.6 10
//