Irina Oshchepkova
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Articles
Recent activity by Irina Oshchepkova-
Spectrus: Saving and reusing processing methods (integration, peak picking) for xC/UV/MS data
DescriptionConsistent processing of xC/UV/MS batches requires standardized methods for peak picking, integration, and noise handling. Spectrus can save these settings as methods that can be applied...
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Spectrus: Creating calibration curves for quantitative UV/Vis analysis
DescriptionQuantitative UV/Vis spectroscopy relies on calibration curves relating absorbance to concentration. Spectrus can process multiple standards and generate these curves using the Optical Wo...
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Spectrus: Subtracting background or solvent in IR spectra
DescriptionIR spectra often contain background or solvent contributions. If a separate background or solvent spectrum is available, subtracting it can clarify analyte bands.SolutionImport the sampl...
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Spectrus: Evaluating isotope patterns to support molecular formula assignment in xC/UV/MS data
DescriptionIsotope patterns in MS spectra (e.g., for Cl, Br, S) help confirm proposed molecular formulas. Spectrus supports viewing and comparing theoretical and experimental isotope patterns.Solut...
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Spectrus: Using blank runs to identify background and contaminants in xC/UV/MS data
DescriptionxC/UV/MS term includes LC/UV/MS and GC/MSBlank runs (no analyte injected) help identify system background peaks and contaminants. Comparing blanks with sample runs in Spectrus can preven...
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Spectrus: Differences in peak areas between TIC and Individual Ion Traces
DescriptionIn xC/UV/MS data, the total ion chromatogram (TIC) and extracted ion chromatograms (XICs) are based on different signal definitions:TIC integrates intensity over all m/z values at each t...
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Spectrus: Baseline correction and noise reduction in UV/Vis spectra
DescriptionRaw UV/Vis spectra can contain baseline offsets, slopes, and noise that interfere with peak interpretation. Spectrus provides tools for baseline correction and smoothing to improve data ...
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Spectrus: Differentiating isobaric compounds using MS/MS in Spectrus
DescriptionIsobaric compounds (same nominal mass) can produce overlapping parent peaks in MS. MS/MS fragmentation patterns, however, can often distinguish between them. Spectrus supports viewing an...
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Spectrus: Using extracted ion chromatograms (XIC) to clarify overlapping peaks
DescriptionIn complex xC/UV/MS data, chromatographic peaks may overlap in the total ion chromatogram (TIC). Extracted ion chromatograms (XIC) for specific m/z values help separate signals from diff...
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Percepta: Using predicted pKa and logD to support chromatography method development
DescriptionAcid‑base properties and ionization (pKa, logD vs pH) strongly influence retention in LC. Percepta predictions can guide selection of mobile phase pH and conditions before or alongside e...