Barceló, Damià

Pérez, Sandra

Zonja, Bozo

English

Digital.CSIC

1TP- 732 Degradation KineticsIdentification of Transformation Products of IohexolPerformed in Sunlight Simulator using ESI-QQTOF-MSBozo Zonja1, Sandra Pérez1, Damià Barceló1,2,31 IDAEA-CSIC, Department of Environmental Chemistry, Jordi Girona 18-26, Barcelona (Spain) 2 ICRA, Parc Científic i Tecnològic de la Universitat de Girona,Edifici Jaume Casademont, Porta A, Planta 1 - Despatx 13C/ Pic de Peguera, 15, E-17003 Girona (Spain)3 King Saudi University, BOX 2455, Riyadh 11451, Saudi ArabiaAbstractChromatography and TP IdentificationMS/MS Spectra of Iohexol and TPsAcknowledgements: The work presented was supported by the Spanish Ministry of Science and Innovation (Scarce project). BZ acknowledges FP7-Marie Curie Actions - ITN for ESR contract. SP acknowledges the Spanish MEC for Ramonand Cajal research contract.Photodegradation of Iohexol under controlled laboratory conditions simulating environmental settings in surface water was studied. Ionated X-ray media (ICM) are among the most widely used drugs for intravascular administration for imaging of organs or blood vessels during diagnostic tests. Its worldwide consumption isestimated to be about 3.5 million kg per year. They are metabolically stable in the human body and are rapidly eliminated via urine or faeces. Most of these radiographic contrast media, includingiohexol, are derivatives of 2,4,6-triiodobenzoic acid possessing polar carboxylic and hydroxylic moieties in their side chains. The potential adverse environmental impact of ICM has beenconsideresd since it was discovered that these compounds contribute substantially to organically bound halogens adsorbable on activated carbon (AOX) in hospital wastewater. As a resault of of thehigh dosages administred and diminished biotransformation in the human body, iohexol is frequently encountered in waste¡water at ug/L levels. Preliminary Identification of the transformation products of Iohexol3.095.095.025.03.03.0Mobile phase A (%)5.75.64.14.01.00Time (min)InstrumentChromatographic conditionsUPLC-(+)ESI-QqToF-MS: Waters Acquity UPLC instrument, equipped with a binary solvent delivery systemand an autosampler. The LC system was coupled to a quadrupole time-of-flight tandem mass spectrometer, QqToF-Micro (Waters Corp., Milford, MA, USA).Nebulizer gas: 600 L h-1; Desolvation Temp: 350 o C; Source Temp: 120 o C; Capillary voltage: 3000 V; Cone voltage: 25 V; Polarity: ES+Column: Waters Waters ACQUITY column UPLC BEH C18 (50 × 2.1 mm,1.7 μm); flow rate: 400 μLmin-1 Mobile phase: A: Acetonitrile; B: 0.04% Formic acid in waterFlow rate: 0.4 mL min-1 of mobile phase; Injection volumn: 10 µLGradient:Sample preparationSuntest CPS systemQuatz vials Prepare SolutionSamplingUPLC-(+)ESI-QqToF-MSXenon lampIIONOH2N OHOOHIHOOH TP- 732Compound Iohexol (IOX)IIHN OHOHONOH2N OHOOHIHOOHMW 821.89IIHN OHOHONOH2N OHOOHIHOOHIHN OHOHONOH2N OHOOHIHOOHIHNHOOHONHOH2NOH OOHITP-696TP-622IIONOH2N OHOOHIHOOH IINH2ONOH2N OHOOHIHOOHIHN OHOHONOH2N OHOIHOOHIOXTP- 732TP- 748TP- 716TP-694INHOOHONOH2N OHOOHHOOHIHOOHHN OHOHONOH2N OHOOHIHOOHOITP-71000.20.40.60.811.20 50 100 150 200Time (min)A/A0IohexolTP- 732TP- 716Time0.90 1.00 1.10 1.20 1.30 1.40 1.50 1.60 1.70 1.80 1.90 2.00%0100)1.330min10min20min30min40min50min60min70min80min90min100min200minTime0.75 0.80 0.85 0.90 0.95 1.00 1.05 1.10 1.15 1.20 1.25 1.30 1.35 1.40 1.45 1.50 1.55 1.60 1.65 1.70 1.75 1.80 1.85 1.90 1.95 2.00 2.05 2.10 2.15 2.20 2.25 2.30 2.35%010015 IOX_t0min_AFW 1: TOF MS ES+ 821.9141.97e31.361.26m/z360 380 400 420 440 460 480 500 520 540 560 580 600 620 640 660 680 700 720 740 760 780 800 820%010079 MS2_822 _IOX_t_0 55 (1.297) 2: TOF MSMS 822.00ES+ 142804603529375449435431376 435 448452 466502485467471501526561543558576562575592584593598657627603603640640653641 731671659804805805806m/z360 380 400 420 440 460 480 500 520 540 560 580 600 620 640 660 680 700 720 740 760 780 800 820 840%0100115 MS2_732_IOX_t60min_AFW 55 (1.298) Cm (55:57) 2: TOF MSMS 732.00ES+ 315544411363359 385377 388416513476417 442432 454 471455477507502495526515732604545576546605670733IIONOH2N OHOOHIHOOHINHOOHOHNOHOIINHOOHONOOHOOHIIHNOHOOOONHDetermination and identification of the iohexol photoproducts in model solutions is of significant interest for its apllication to understanding the fate of Iohexol in the environment as it isa significant stakeholder in the Ionated Contrast Media usage. Transformation products present an interesting research path since the Iohexol TPs show further degradation soon aftercreation which would suggest suitable photodegradation in the environment

Identification of transformation products of iohexol performed in sunlight simulator using ESI-QqToF-MS

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Identification of transformation products of iohexol performed in sunlight simulator using ESI-QqToF-MS

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