ACCESSION: MSBNK-BAFG-CSL23111017951
RECORD_TITLE: Imazamox; 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$NAME: Imazamox
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 110
AC$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 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$SPLASH: splash10-01p9-9000000000-c67ad128e9d0c25bd254
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  37.0062 1.7 128
  38.0139 1.5 113
  39.022 11.5 870
  41.0373 4.7 355
  42.0328 3.3 249
  43.0404 1.1 83
  44.048 0.5 37
  45.032 1.5 113
  50.0137 1.7 128
  51.0213 4.1 310
  52.0165 3.4 257
  52.0288 0.8 60
  53.037 2 151
  56.0479 3.8 287
  59.9976 0.6 45
  61.0056 7.5 567
  62.0133 5.6 423
  63.0078 0.4 30
  63.0212 8.9 673
  64.0162 1.4 105
  64.0287 2.4 181
  65.0248 1.3 98
  65.0368 6.4 484
  66.0448 0.8 60
  70.0632 5.2 393
  71.0716 1.2 90
  76.0161 2.1 158
  77.011 0.9 68
  77.0368 1 75
  78.0315 4.4 333
  79.0275 0.6 45
  79.0395 1 75
  80.0474 1 75
  87.0076 1.4 105
  88.0162 13.2 999
  89.0242 3.1 234
  90.0314 2.7 204
  91.0393 2.8 211
  92.0344 0.5 37
  92.0472 1.6 121
  103.026 0.6 45
  104.0476 1 75
  105.0425 1.3 98
  115.0361 0.4 30
  116.0346 1.9 143
  117.0429 1.3 98
  118.0496 1.7 128
  131.0565 0.5 37
//