ACCESSION: MSBNK-BAFG-CSL23111017962
RECORD_TITLE: Imazamox; LC-ESI-QTOF; MS2; 40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$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$SPLASH: splash10-00kf-3950000000-405a5587c8d85a8e7092
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  39.0217 2.9 23
  41.0375 13.5 107
  69.0685 64.2 509
  70.0636 1.6 12
  71.0712 2.3 18
  86.0948 72 571
  92.0469 2.3 18
  97.0621 1.5 11
  107.0585 2 15
  117.0425 1.5 11
  118.0499 1.4 11
  119.0583 2.5 19
  122.0574 4.9 38
  123.0653 2.1 16
  145.0372 7.2 57
  147.0529 3.2 25
  148.0608 9.3 73
  149.0684 13 103
  150.0529 2.1 16
  159.0521 1.7 13
  160.0486 2.2 17
  161.0681 10 79
  162.0394 3.4 27
  162.0624 1.4 11
  163.0483 82.1 651
  175.048 25.5 202
  176.0549 1.6 12
  177.063 5.6 44
  187.0732 3.1 24
  188.0817 2.3 18
  189.0994 1.8 14
  191.0795 47.3 375
  192.0749 41.4 328
  193.0592 125.8 999
  212.0916 1.3 10
  215.0664 4.9 38
  216.0746 3 23
  217.082 2.8 22
  217.1313 4.7 37
  218.0905 75.4 598
  219.11 6 47
  220.1012 3.4 27
  235.0923 4.3 34
  243.1109 15.4 122
  245.0764 3.6 28
  246.0856 79.6 632
  260.1372 4.4 34
  261.1214 24.5 194
  263.0871 1.9 15
  264.0955 7.1 56
  306.1449 1.3 10
//