ACCESSION: MSBNK-BAFG-CSL23111017960
RECORD_TITLE: Imazamox; LC-ESI-QTOF; MS2; 130 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$MASS_SPECTROMETRY: COLLISION_ENERGY 130
AC$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$SPLASH: splash10-03dr-9000000000-8f1b2237ceb24f82bc35
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  35.998 0.4 42
  37.006 2.1 220
  38.0139 2.1 220
  39.0219 9.5 999
  41.0372 2.2 231
  42.0324 3.3 347
  43.0403 0.8 84
  45.032 0.9 94
  49.0054 0.5 52
  50.0136 2.5 262
  51.0085 0.4 42
  51.0214 4.1 431
  52.0167 3.6 378
  52.0282 0.6 63
  53.0368 1 105
  56.0479 1.6 168
  59.9976 1 105
  61.0054 9.4 988
  62.0135 5.7 599
  63.0076 0.6 63
  63.0211 6.6 694
  64.0166 1.1 115
  64.0289 1.7 178
  65.0247 0.8 84
  65.0361 2 210
  70.0631 3.2 336
  75.0081 0.7 73
  76.0158 2.1 220
  77.0117 0.5 52
  78.0319 2.8 294
  85.9998 0.5 52
  87.0081 2.4 252
  88.0161 5.6 588
  89.0232 1.2 126
  90.0319 0.8 84
  91.0397 0.9 94
  92.036 0.4 42
  92.048 0.5 52
  104.0463 0.5 52
//