ACCESSION: MSBNK-BAFG-CSL23111017957
RECORD_TITLE: Imazamox; LC-ESI-QTOF; MS2; 140 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$MASS_SPECTROMETRY: COLLISION_ENERGY 140
AC$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$SPLASH: splash10-03dr-9000000000-c80f44c00c5a84a67ab3
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  35.998 0.5 52
  37.0059 2.6 273
  38.014 1.8 189
  39.0218 7.7 809
  41.0372 1.5 157
  42.0325 3.1 325
  43.0404 0.6 63
  44.0477 0.4 42
  45.0321 0.6 63
  49.0052 0.8 84
  50.0134 3.2 336
  51.0213 3.4 357
  52.0166 3.8 399
  52.0289 0.6 63
  53.0369 0.7 73
  56.0477 1.4 147
  59.9976 1.5 157
  61.0058 9.5 999
  62.0134 5.6 588
  63.0088 0.4 42
  63.021 6.1 641
  64.0161 1 105
  64.0287 0.7 73
  65.0239 0.4 42
  65.0368 1 105
  70.0633 2.2 231
  75.0083 1.3 136
  76.0161 2.1 220
  77.037 0.5 52
  78.0313 1.6 168
  85.9996 0.7 73
  87.0081 1.8 189
  88.0159 3.3 347
  89.0232 0.5 52
  90.0327 0.6 63
  91.04 0.5 52
  92.0475 0.4 42
//