ACCESSION: MSBNK-BAFG-CSL23111017954
RECORD_TITLE: Imazamox; LC-ESI-QTOF; MS2; 50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50
AC$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$SPLASH: splash10-03xu-3910000000-84e2d5b8a6546a99a8bc
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  39.0218 5.2 64
  41.0376 22.1 272
  56.0482 1.2 14
  58.0633 1.1 13
  65.0365 1 12
  67.0522 0.9 11
  69.0683 50.3 621
  70.0634 2.4 29
  71.071 4.7 58
  86.0948 47.3 584
  88.0157 1.3 16
  90.0308 1.2 14
  92.0473 8.1 100
  97.0621 0.9 11
  104.0461 0.9 11
  107.0579 3.6 44
  115.0271 3 37
  117.0423 5.1 62
  118.0503 6 74
  119.058 5.1 62
  120.0421 4.4 54
  122.0581 17.4 214
  123.0656 3.4 41
  131.0578 0.9 11
  133.038 1.3 16
  133.0735 1.8 22
  134.0435 0.8 9
  135.0524 1.7 20
  144.0296 2 24
  145.0376 22.6 279
  146.0216 1.9 23
  146.0446 1.3 16
  147.053 6.4 79
  148.0605 14.7 181
  149.0686 7.9 97
  150.0521 3.5 43
  159.0528 2.7 33
  159.0762 1.3 16
  160.0606 7 86
  161.0676 21.3 263
  162.0398 8 98
  162.0627 1.9 23
  163.0484 80.9 999
  171.0892 1.2 14
  173.0665 0.9 11
  175.0483 29.7 366
  176.0551 2.3 28
  177.0632 5.4 66
  184.0963 1 12
  186.0639 1 12
  187.0713 5.9 72
  188.082 2.5 30
  189.0952 1.7 20
  191.0794 35.3 435
  192.0747 13 160
  193.0588 29 358
  212.091 1.5 18
  215.0676 5.8 71
  216.0748 3.4 41
  218.0903 22.8 281
  219.1107 1.6 19
  220.099 0.9 11
  235.0925 1.2 14
  243.1106 2.2 27
  246.0849 11.6 143
  261.1209 1.3 16
//