ACCESSION: MSBNK-BAFG-CSL23111017964
RECORD_TITLE: Imazamox; LC-ESI-QTOF; MS2; 100 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$MASS_SPECTROMETRY: COLLISION_ENERGY 100
AC$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$SPLASH: splash10-01p9-9100000000-3f0c7c404ce45ba02a4a
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  37.0059 1.5 74
  38.0139 1.7 84
  39.022 12.1 604
  41.0374 8.2 409
  42.0328 2.8 139
  43.0402 1.1 54
  43.0529 0.5 24
  44.0481 0.6 29
  45.0318 1.6 79
  50.0136 1 49
  51.0214 2.7 134
  52.0167 3.1 154
  52.0293 0.6 29
  53.0367 2 99
  54.0322 0.6 29
  56.0478 4.3 214
  59.9986 0.5 24
  61.0056 5.9 294
  62.0133 5.3 264
  63.0211 8.4 419
  64.0164 1.6 79
  64.0288 3.2 159
  65.0248 1.2 59
  65.0369 9.8 489
  66.0446 0.6 29
  67.039 0.7 34
  69.0688 0.7 34
  70.0635 6.9 344
  71.0712 2.3 114
  76.0165 1.4 69
  77.0118 0.7 34
  77.0365 1 49
  78.0317 5.9 294
  79.027 0.7 34
  79.0394 1.6 79
  80.0474 1.4 69
  87.0081 0.8 39
  88.0166 20 999
  89.0241 3.8 189
  89.0364 0.7 34
  90.032 3.6 179
  91.0393 4.4 219
  92.0356 0.8 39
  92.0468 4.7 234
  93.0547 0.8 39
  103.0262 0.7 34
  104.047 1 49
  105.043 2.1 104
  106.0262 1 49
  106.0613 0.5 24
  115.0513 0.5 24
  116.0352 5.7 284
  117.0426 2.7 134
  118.05 3.6 179
  119.0584 0.5 24
  122.0569 1.5 74
  131.059 1.1 54
  132.0654 0.6 29
  133.0368 0.7 34
  144.0295 0.9 44
  146.0442 0.4 19
//