ACCESSION: MSBNK-BAFG-CSL23111017949
RECORD_TITLE: Imazamox; LC-ESI-QTOF; MS2; 70 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$MASS_SPECTROMETRY: COLLISION_ENERGY 70
AC$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$SPLASH: splash10-014u-8900000000-072346e27e3be76c624d
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
  37.0061 0.8 45
  38.0139 0.9 50
  39.0219 8.6 485
  41.0374 17 959
  42.0324 1.2 67
  43.0402 0.6 33
  44.0478 0.8 45
  45.0323 1.3 73
  51.0215 0.8 45
  52.0168 0.7 39
  53.0366 1.1 62
  56.048 3.5 197
  58.0632 0.5 28
  61.006 0.9 50
  62.0137 0.6 33
  63.0211 2.7 152
  64.0293 0.8 45
  65.0368 9 507
  67.0525 0.5 28
  69.0678 8.2 462
  70.0633 5.5 310
  71.0714 6.1 344
  77.0366 0.7 39
  78.0318 2.6 146
  79.0394 1.5 84
  80.0473 2.9 163
  86.0943 4.1 231
  88.0163 12.9 728
  89.0239 1.6 90
  90.0314 5.5 310
  91.0399 4.8 270
  92.0474 17.7 999
  93.0554 1.4 79
  95.0478 0.5 28
  103.027 0.6 33
  104.0343 0.5 28
  104.0474 0.9 50
  105.0426 4 225
  106.0261 1.1 62
  106.0507 0.5 28
  106.0618 0.6 33
  107.0335 0.5 28
  107.0577 3.2 180
  108.042 1.1 62
  115.0264 5.1 287
  116.0346 8.7 491
  117.0425 8.9 502
  118.0279 1.4 79
  118.0503 11.7 660
  119.0582 3.1 174
  120.0421 1.5 84
  120.0643 0.5 28
  122.0577 17.2 970
  123.0657 2.7 152
  130.062 0.7 39
  131.0214 0.8 45
  131.0583 1.4 79
  132.0321 0.5 28
  132.0658 1.1 62
  133.0372 3.3 186
  133.0736 1 56
  134.0443 0.8 45
  135.0524 0.8 45
  142.0511 0.4 22
  144.0294 5.8 327
  144.0652 0.4 22
  145.0375 8.4 474
  145.0737 0.5 28
  146.0218 1.9 107
  146.0455 1.9 107
  147.0529 2.7 152
  148.0605 3.8 214
  149.0315 0.6 33
  149.0672 0.6 33
  158.0681 0.6 33
  159.0532 1.3 73
  159.0763 0.5 28
  160.0607 5.9 333
  161.0567 2.4 135
  161.0671 2.3 129
  162.0398 4 225
  163.0481 5.2 293
  171.0886 0.5 28
  175.0476 2.9 163
  177.0264 0.5 28
  187.0722 0.8 45
  191.0774 1.6 90
  193.0577 0.4 22
//