ACCESSION: MSBNK-BAFG-CSL23111017959
RECORD_TITLE: Imazamox; LC-ESI-QTOF; MS2; 120 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$MASS_SPECTROMETRY: COLLISION_ENERGY 120
AC$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$SPLASH: splash10-03dr-9000000000-879eab21d34235552cf8
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  37.0061 2 212
  38.0142 1.9 201
  39.0218 9.4 999
  41.0372 3.4 361
  42.0323 2.7 286
  43.0408 0.9 95
  44.0478 0.5 53
  45.0319 0.9 95
  49.0056 0.4 42
  50.0136 1.7 180
  51.0083 0.5 53
  51.0214 2.9 308
  52.0165 4 425
  52.0292 0.5 53
  53.0367 1.4 148
  54.0313 0.4 42
  56.0479 2.6 276
  59.998 0.6 63
  61.0059 7.7 818
  62.0134 5.6 595
  63.0213 7 743
  64.0166 1.5 159
  64.0285 2.2 233
  65.0236 0.8 85
  65.0368 3.5 371
  70.0634 4.1 435
  75.0081 0.6 63
  76.0164 2.3 244
  77.0111 0.6 63
  77.0368 1 106
  78.0323 3.6 382
  79.0397 0.6 63
  80.0476 0.5 53
  87.0082 1.2 127
  88.0161 8.1 860
  89.0238 1.8 191
  89.0363 0.6 63
  90.0311 1 106
  91.0394 2 212
  92.0349 0.5 53
  92.0466 1 106
  105.0426 0.7 74
  116.0344 0.6 63
  117.0417 0.7 74
  118.0519 0.8 85
//