Zborník príspevkov z vedeckej konferencie - Department of ...
Zborník príspevkov z vedeckej konferencie - Department of ... Zborník príspevkov z vedeckej konferencie - Department of ...
the LC-ESI-IT-TOF MS analyzer. HPLC-MS analyses of urine samples collected from the volunteer No.5 0-6 hours after oral administration of Nurofen StopGrip are shown in Figure 2. From the chromatograms it is clear that the profiles of the urine’s compounds concentrations and hence the representation of individual substances in the urine vary with time. These results also indicate that urine is not only very complex matrix, but its composition strongly depends on many individual factors, including the time from drug ingestion. To identify the potential metabolites MetID Solution program (Shimadzu) was used, for which summary formula of metabolising substance, MS-MS n records obtained from the samples taken in the different times of the metabolic process and blank record served as input data. After some computation time (usually 10-30 seconds) program provides a list of potential metabolites expected (metabolites, which may arise on the basis of known metabolic reactions in Phase I and II of metabolic degradation pathways of xenobiotic substances) and the list of unexpected metabolites. MetID Solution program processed all HPLC-MS data obtained by analyzing the urine samples from each volunteer and the list of the potential metabolites was obtained. The lists of the potential metabolites obtained from all volunteers were carefully inspected as there is a high risk of false-positive results in such studies. Therefore, only the metabolites which were present at least in 3 samples of at least 3 volunteers were taken into account. After final summarization of all potential metabolites, we can found the following metabolites of ibuprofen present in the human urine, i.e., hydroxyibuprofen, carboxyibuprofen, hydroxyibuprofen glucuronide, carboxyibuprofen glucuronide, ibuprofen glucuronide and conjugate of ibuprofen with taurine. Zborník príspevkov z 18. medzinárodnej vedeckej konferencie "Analytické metódy a zdravie loveka", ISBN 978-80-969435-7-9 - 135 - hotel Falkensteiner, Bratislava 11. - 14. 10. 2010
3.00 2.75 (x10,000,000) 1:TIC (1.00) 4:TIC (1.00) 4:205.1234 (5.00) 2.50 2.25 2.00 1.75 1.50 1.25 1.00 0.75 0.50 0.25 TIC + TIC - ibuprofen 0.00 0.0 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 11.0 3.00 2.75 (x10,000,000) 1:TIC (1.00) 4:TIC (1.00) 4:205.1234 (5.00) 2.50 2.25 2.00 1.75 1.50 1.25 1.00 0.75 0.50 0.25 0.00 1.25 1.00 0.75 0.50 0.25 TIC + TIC - 0.0 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0 9.0 10.0 11.0 Inten.(x1,000,000) 161.1322 205.1216 301.1067(1) 0.00 112.9844 277.1395 394.9716 364.8836 487.3010(1) 589.7253640.7217 695.7434 802.6879 883.6771 50 100 150 200 250 300 350 400 450 500 550 600 650 700 750 800 850 900 950 m/z 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 Inten.(x10,000) 160.9485 [M-H] - [M-CO2-H] - 0.0 50 100 150 200 250 300 350 400 450 500 550 600 650 700 750 800 850 900 950 m/z Fig 1: TIC and XIC chromatograms obtained from LC-MS analysis of urine (b) and urine with the addition of ibuprofen (a). An asterisk indicates the elution position of ibuprofen. MS spectrum obtained from urine samples with the addition of ibuprofen (a) from the peak eluting at the time of 7.98 min. (c) and MS / MS spectrum obtained from the fragmentation ion m/z 205.1216 (d). MS and MS / MS spectra were acquired in negative ionization mode. Zborník príspevkov z 18. medzinárodnej vedeckej konferencie "Analytické metódy a zdravie loveka", ISBN 978-80-969435-7-9 - 136 - * a b c d hotel Falkensteiner, Bratislava 11. - 14. 10. 2010
- Page 92 and 93: 2. Experimental Instrumentation Flo
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- Page 110 and 111: O22—C6—C7 109.57 (15) C10—C11
- Page 112 and 113: [8] S. Teklu, L.L. Gundersen, T. La
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the LC-ESI-IT-TOF MS analyzer. HPLC-MS analyses <strong>of</strong> urine samples collected from the volunteer No.5 0-6 hours after<br />
oral administration <strong>of</strong> Nur<strong>of</strong>en StopGrip are shown in Figure 2. From the chromatograms it is clear that the pr<strong>of</strong>iles <strong>of</strong> the<br />
urine’s compounds concentrations and hence the representation <strong>of</strong> individual substances in the urine vary with time. These<br />
results also indicate that urine is not only very complex matrix, but its composition strongly depends on many individual<br />
factors, including the time from drug ingestion. To identify the potential metabolites MetID Solution program (Shimadzu)<br />
was used, for which summary formula <strong>of</strong> metabolising substance, MS-MS n records obtained from the samples taken in the<br />
different times <strong>of</strong> the metabolic process and blank record served as input data. After some computation time (usually<br />
10-30 seconds) program provides a list <strong>of</strong> potential metabolites expected (metabolites, which may arise on the basis <strong>of</strong> known<br />
metabolic reactions in Phase I and II <strong>of</strong> metabolic degradation pathways <strong>of</strong> xenobiotic substances) and the list <strong>of</strong> unexpected<br />
metabolites. MetID Solution program processed all HPLC-MS data obtained by analyzing the urine samples from each<br />
volunteer and the list <strong>of</strong> the potential metabolites was obtained. The lists <strong>of</strong> the potential metabolites obtained from all<br />
volunteers were carefully inspected as there is a high risk <strong>of</strong> false-positive results in such studies. Therefore, only the<br />
metabolites which were present at least in 3 samples <strong>of</strong> at least 3 volunteers were taken into account. After final<br />
summarization <strong>of</strong> all potential metabolites, we can found the following metabolites <strong>of</strong> ibupr<strong>of</strong>en present in the human urine,<br />
i.e., hydroxyibupr<strong>of</strong>en, carboxyibupr<strong>of</strong>en, hydroxyibupr<strong>of</strong>en glucuronide, carboxyibupr<strong>of</strong>en glucuronide, ibupr<strong>of</strong>en<br />
glucuronide and conjugate <strong>of</strong> ibupr<strong>of</strong>en with taurine.<br />
<strong>Zborník</strong> <strong>príspevkov</strong><br />
z 18. medzinárodnej <strong>vedeckej</strong> <strong>konferencie</strong><br />
"Analytické metódy a zdravie loveka", ISBN 978-80-969435-7-9<br />
- 135 -<br />
hotel Falkensteiner, Bratislava<br />
11. - 14. 10. 2010
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