ACCESSION: MSBNK-BAFG-CSL23111017961
RECORD_TITLE: Imazamox; LC-ESI-QTOF; MS2; 60 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$MASS_SPECTROMETRY: COLLISION_ENERGY 60
AC$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$SPLASH: splash10-044l-4900000000-1ba213cb0eb80eb0b1d4
PK$NUM_PEAK: 90
PK$PEAK: m/z int. rel.int.
  37.0059 0.5 17
  38.0137 0.6 21
  39.0219 7 245
  41.0376 20.1 704
  42.0325 1.1 38
  43.0527 0.5 17
  44.0483 0.7 24
  45.0316 1.3 45
  56.0477 2.3 80
  58.0634 0.7 24
  63.0211 1.2 42
  65.0368 5.3 185
  67.0519 1.3 45
  69.0682 20.4 715
  70.063 3.1 108
  71.0712 6.4 224
  77.0372 0.5 17
  78.0317 1.2 42
  79.0399 0.5 17
  80.0475 1.3 45
  86.0945 13.7 480
  88.0162 5.6 196
  89.0251 0.5 17
  90.0319 3.7 129
  91.0391 2.1 73
  92.0475 15.8 553
  93.0556 0.8 28
  95.0471 0.7 24
  104.0472 0.8 28
  105.0426 3.3 115
  106.0254 0.8 28
  106.0502 0.7 24
  106.0627 0.4 14
  107.0347 0.6 21
  107.0579 4.8 168
  108.0416 1.1 38
  115.0269 5.6 196
  116.0345 4.4 154
  117.0428 9.3 325
  118.0271 1.3 45
  118.0504 11.5 403
  119.0578 6.5 227
  120.0419 3.4 119
  121.0495 0.5 17
  122.0581 28.5 999
  123.0652 4.3 150
  131.0581 1.8 63
  132.0301 0.9 31
  133.0367 2.6 91
  133.0735 1.6 56
  134.0454 1.5 52
  135.0527 1.3 45
  142.0596 0.5 17
  143.0581 0.5 17
  144.0293 6.8 238
  144.077 0.7 24
  145.037 18 630
  145.0737 0.5 17
  146.0204 2.2 77
  146.0439 1.8 63
  147.0526 5.6 196
  148.061 8.9 311
  149.0331 0.5 17
  149.0687 2.3 80
  150.0521 1.3 45
  158.0687 0.6 21
  159.0529 2.3 80
  159.0763 0.8 28
  160.0603 9.2 322
  161.064 13.6 476
  162.0393 9.6 336
  162.0646 0.4 14
  163.0482 25.5 893
  171.0883 0.9 31
  173.0698 1 35
  175.048 9.9 347
  175.0683 0.7 24
  176.0556 1.2 42
  177.0626 2 70
  184.0997 0.5 17
  186.0634 0.6 21
  187.0713 2.7 94
  188.0848 1.5 52
  191.0788 7.4 259
  192.0743 1.1 38
  193.0587 3.2 112
  215.0657 2.1 73
  216.0739 0.6 21
  218.0917 1.7 59
  246.084 1.1 38
//