MassBank Record: MSBNK-BAFG-CSL23111016168
ACCESSION: MSBNK-BAFG-CSL23111016168
RECORD_TITLE: Dimoxystrobin; LC-ESI-QTOF; MS2; 120 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$MASS_SPECTROMETRY: COLLISION_ENERGY 120
AC$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-9000000000-aac81f3439495559a578
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
37.0082 5 45
38.0159 3.5 32
39.0239 19.4 177
41.0393 1.6 14
50.0158 3.9 35
51.0236 6.3 57
58.0296 28.9 264
60.0002 1.4 12
61.0081 12.6 115
62.0159 30.8 282
63.0238 109 999
64.019 17.3 158
64.0309 1.6 14
65.0393 6.9 63
74.0161 2.4 21
75.0232 3.3 30
76.0188 1.2 10
77.0394 6.6 60
88.0183 3.3 30
89.0392 87.7 803
90.0342 5.8 53
90.0459 6.2 56
91.0558 2.2 20
114.0339 1.1 10
115.0542 2 18
116.0516 5.3 48
117.0577 1.6 14
139.0549 2.3 21
150.0465 1.9 17
151.0544 4.4 40
152.0618 4.3 39
163.0544 2.5 22
164.0622 2.2 20
165.0707 3.6 32
176.0621 2.3 21
178.0775 1.9 17
189.0707 1.5 13
190.0655 1.4 12
//
system version 2.2.6-SNAPSHOT