MassBank Record: MSBNK-BAFG-CSL23111017953
ACCESSION: MSBNK-BAFG-CSL23111017953
RECORD_TITLE: Imazamox; LC-ESI-QTOF; MS2; 80 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$NAME: Imazamox
CH$COMPOUND_CLASS: Herbicide
CH$FORMULA: C15H19N3O4
CH$EXACT_MASS: 305.1376
CH$SMILES: CC(C)C1(C(=O)NC(=N1)C2=C(C=C(C=N2)COC)C(=O)O)C
CH$IUPAC: InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)
CH$LINK: CAS
114311-32-9
CH$LINK: INCHIKEY
NUPJIGQFXCQJBK-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$MASS_SPECTROMETRY: COLLISION_ENERGY 80
AC$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 6.853 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 306.1448
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: splash10-014u-9500000000-a9bb6a34c2cf0a0bf141
PK$NUM_PEAK: 86
PK$PEAK: m/z int. rel.int.
37.0062 1 50
38.014 1.2 60
39.0218 9.7 486
41.0376 13.9 697
42.0328 2.5 125
43.0404 0.7 35
44.0484 0.5 25
45.0318 1.7 85
51.0217 1.4 70
52.0164 1.1 55
53.0372 1.6 80
56.0481 3.6 180
61.0056 1.8 90
62.0133 1.8 90
63.0212 4.5 225
64.0162 0.7 35
64.0289 1.6 80
65.0255 0.6 30
65.0369 13.8 692
66.0451 0.5 25
67.0398 0.6 30
67.0521 0.8 40
69.0683 4.6 230
70.0632 7.2 361
71.0716 4.9 245
76.0174 0.6 30
77.0121 0.5 25
77.0225 0.4 20
77.0366 1.1 55
78.0321 5.7 286
79.0281 0.5 25
79.0391 1.4 70
80.0477 2.2 110
86.0946 1.5 75
88.0165 19.9 999
89.024 2.6 130
89.0362 0.6 30
90.0318 5.8 291
91.0394 6.4 321
92.0475 14.5 727
93.0552 0.7 35
95.0468 0.5 25
103.0275 1 50
104.034 0.6 30
104.0475 1.3 65
105.0427 3.3 165
105.0541 0.5 25
106.0266 1.3 65
106.0505 0.5 25
106.0615 0.8 40
107.034 0.7 35
107.0585 2.1 105
108.0424 1.5 75
115.0269 2.5 125
116.035 11.7 587
117.0428 6.6 331
118.0273 0.6 30
118.0502 9.1 456
119.0335 0.5 25
119.0579 1.7 85
120.0425 0.5 25
120.0674 0.6 30
121.0499 0.7 35
122.058 11.2 562
123.0657 2.3 115
130.0511 0.4 20
131.0218 0.7 35
131.0577 1.8 90
132.0645 0.6 30
133.0372 2.4 120
135.0533 0.4 20
143.0564 0.6 30
144.0294 4.6 230
144.08 0.6 30
145.0371 3 150
146.0213 0.5 25
146.046 1.3 65
147.053 0.9 45
148.0605 1.2 60
159.0524 1.3 65
160.0606 3.2 160
161.0577 1.4 70
162.0399 1.9 95
163.0471 0.8 40
175.0476 0.6 30
191.0809 0.7 35
//