ACCESSION: MSBNK-BAFG-CSL23111017963
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$SPLASH: splash10-0296-3960000000-a63d6dd00a1e5e187e59
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  39.0217 4.7 45
  41.0376 17.9 172
  58.0634 1.4 13
  69.0683 59.2 570
  70.0633 1.3 12
  71.0707 2.7 26
  86.0946 67.8 653
  92.0471 3.4 32
  97.0624 1.7 16
  107.0586 2.3 22
  115.027 1.9 18
  117.0423 2.6 25
  118.0499 3.3 31
  119.0583 3.4 32
  120.0421 1.9 18
  122.0576 9.3 89
  123.0652 1.8 17
  145.0371 12 115
  147.0531 4.8 46
  148.0606 10.6 102
  149.0683 11.9 114
  150.052 2.3 22
  159.0522 1.3 12
  160.0596 4.2 40
  161.0672 14.2 136
  162.0388 4.5 43
  162.0627 1.6 15
  163.0482 81.9 789
  175.0481 26.4 254
  176.0552 1.9 18
  177.0628 4.9 47
  187.0712 4 38
  188.0805 3 28
  189.0882 1.6 15
  191.0794 41.5 400
  192.0742 33.9 326
  193.0591 103.6 999
  212.0899 1.3 12
  215.0659 4.2 40
  216.0727 2.5 24
  217.0821 2.7 26
  217.1314 7.8 75
  218.0901 55 530
  219.111 4.7 45
  220.1007 2.5 24
  235.0916 5.1 49
  243.1099 13.1 126
  245.0771 3.1 29
  246.0855 78.5 756
  260.1372 9.2 88
  261.1218 48.5 467
  263.0872 1.7 16
  264.0959 19.3 186
  278.1469 5.3 51
  288.1324 1.1 10
  306.1427 20.1 193
//