MassBank Record: MSBNK-BAFG-CSL23111016163
ACCESSION: MSBNK-BAFG-CSL23111016163
RECORD_TITLE: Dimoxystrobin; LC-ESI-QTOF; MS2; 90 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$MASS_SPECTROMETRY: COLLISION_ENERGY 90
AC$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: splash10-000i-9100000000-3a09fedb85bda6e2d720
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
39.0237 11.7 38
58.0299 119.8 389
61.0075 5.7 18
62.016 14.9 48
63.0239 110.8 360
64.0189 10.1 32
65.0392 14.6 47
77.0392 9.1 29
88.0182 4.9 15
89.0395 307.1 999
90.0356 19.9 64
90.0454 24.5 79
91.0552 5.9 19
104.0491 3.8 12
116.0505 53.8 175
117.0575 10.1 32
128.0503 4.5 14
151.055 4.3 13
152.063 7.4 24
165.0706 9.8 31
176.0612 4.3 13
178.0774 6.6 21
180.0815 3.7 12
//
system version 2.2.6-SNAPSHOT