ACCESSION: MSBNK-BAFG-CSL23111017950
RECORD_TITLE: Imazamox; LC-ESI-QTOF; MS2; 90 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$MASS_SPECTROMETRY: COLLISION_ENERGY 90
AC$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$SPLASH: splash10-00ku-9300000000-a6f21a93fd32d1875034
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  37.006 1.3 57
  38.014 1.5 66
  39.0219 12.5 555
  41.0375 12.7 563
  42.0324 2.7 119
  43.0406 0.8 35
  44.0479 0.7 31
  45.0325 2.1 93
  50.0135 0.6 26
  51.0215 1.8 79
  52.0165 1.9 84
  52.0295 0.4 17
  53.0369 2.1 93
  56.0479 6.1 270
  61.0054 3.4 150
  62.0133 3.3 146
  63.0212 7.1 315
  64.0167 1 44
  64.029 3 133
  65.0249 1.2 53
  65.0367 14.9 661
  66.0448 0.9 39
  67.0523 0.6 26
  69.0681 2.3 102
  70.0635 7.6 337
  71.0712 3.6 159
  76.0162 1.3 57
  77.0121 0.8 35
  77.0245 0.5 22
  77.0363 1.2 53
  78.0321 5.2 230
  79.0268 1.1 48
  79.0391 1.4 62
  80.0472 3.1 137
  86.0956 0.6 26
  88.0166 22.5 999
  89.0241 4.3 190
  89.0362 0.4 17
  90.0319 5.3 235
  91.0398 7.8 346
  92.0356 0.5 22
  92.0475 10.1 448
  93.0558 0.8 35
  103.0276 1.4 62
  104.047 2.1 93
  105.0427 3.2 142
  105.0546 0.4 17
  106.0264 1.3 57
  106.0624 0.6 26
  107.0572 0.6 26
  108.0418 0.9 39
  115.0271 1.9 84
  116.0351 11.1 492
  117.043 4 177
  118.0506 7.8 346
  119.0583 1 44
  122.0581 5.4 239
  123.0652 0.9 39
  131.0227 0.5 22
  131.0577 1.6 71
  132.0669 0.4 17
  133.0372 1.3 57
  142.0502 0.5 22
  144.0295 2.1 93
  145.0368 1 44
  146.0447 0.8 35
  147.0515 0.6 26
  148.0602 0.7 31
  159.0532 0.7 31
  160.0599 1.4 62
  161.0564 0.4 17
  162.0412 0.7 31
  163.0494 0.4 17
  175.048 0.7 31
//