Overcoming the challenge of confident identification among two related groups of 17-methyl steroids by GC-MS Article Swipe
Maria Kristina Parr
,
Jakob Steff
,
Francesco Botrè
,
Xavier de la Torre
·
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.26434/chemrxiv-2025-dgbjb
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.26434/chemrxiv-2025-dgbjb
Tetrahydromethyltestosterone (THMT) and 20 hydroxymethyl 18-nortetrahydromethyltestosterone (20OHnorTHMT) are metabolites of the anabolic androgenic steroids methyltestosterone and metandienone. Both molecule structures are used as markers in anti doping analysis. There are eight reasonable diastereomeric structures of each group relevant for metabolic purposes. Despite a different chemical composition, mass spectrometry reaches its limitation in the discrimination of these two groups in its entirety. Due to the low abundance of the molecular ion, high resolution mass spectrometry provides shared fragment ions challenging identification by extracted ion chromatograms out of full scan mode acquisitions. Further on, tandem mass spectrometry uses partly the same ion transitions for both groups of targeted analytes. Thus, confident identification of signals needs chromatography as an additional dimension. Therefore, a gas chromatographic method using a DB-5ms capillary column (30 m, 0.25 mm, 0.25 µm) was developed. Hence, discrimination between the two groups was enabled and a confident structural assignment between the eight diastereomers was achieved. This case study contributes to a higher quality of anti doping analysis, but even further raises awareness of the importance of chromatographic separation in cases of insufficient mass spectrometric discrimination.
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Metadata
- Type
- preprint
- Language
- en
- Landing Page
- https://doi.org/10.26434/chemrxiv-2025-dgbjb
- https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/684f9176c1cb1ecda04402c2/original/overcoming-the-challenge-of-confident-identification-among-two-related-groups-of-17-methyl-steroids-by-gc-ms.pdf
- OA Status
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- Related Works
- 10
- OpenAlex ID
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All OpenAlex metadata
Raw OpenAlex JSON
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- DOI
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https://doi.org/10.26434/chemrxiv-2025-dgbjbDigital Object Identifier
- Title
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Overcoming the challenge of confident identification among two related groups of 17-methyl steroids by GC-MSWork title
- Type
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preprintOpenAlex work type
- Language
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enPrimary language
- Publication year
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2025Year of publication
- Publication date
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2025-06-19Full publication date if available
- Authors
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Maria Kristina Parr, Jakob Steff, Francesco Botrè, Xavier de la TorreList of authors in order
- Landing page
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https://doi.org/10.26434/chemrxiv-2025-dgbjbPublisher landing page
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https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/684f9176c1cb1ecda04402c2/original/overcoming-the-challenge-of-confident-identification-among-two-related-groups-of-17-methyl-steroids-by-gc-ms.pdfDirect link to full text PDF
- Open access
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YesWhether a free full text is available
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goldOpen access status per OpenAlex
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https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/684f9176c1cb1ecda04402c2/original/overcoming-the-challenge-of-confident-identification-among-two-related-groups-of-17-methyl-steroids-by-gc-ms.pdfDirect OA link when available
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Chemistry, Diastereomer, Chromatography, Mass spectrometry, Analyte, Tandem mass spectrometry, Resolution (logic), Ion, Analytical Chemistry (journal), Stereochemistry, Organic chemistry, Artificial intelligence, Computer scienceTop concepts (fields/topics) attached by OpenAlex
- Cited by
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0Total citation count in OpenAlex
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10Other works algorithmically related by OpenAlex
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| abstract_inverted_index.Further | 90 |
| abstract_inverted_index.between | 138, 149 |
| abstract_inverted_index.enabled | 143 |
| abstract_inverted_index.further | 169 |
| abstract_inverted_index.markers | 23 |
| abstract_inverted_index.quality | 162 |
| abstract_inverted_index.reaches | 48 |
| abstract_inverted_index.signals | 111 |
| abstract_inverted_index.anabolic | 11 |
| abstract_inverted_index.chemical | 44 |
| abstract_inverted_index.fragment | 76 |
| abstract_inverted_index.molecule | 18 |
| abstract_inverted_index.provides | 74 |
| abstract_inverted_index.relevant | 37 |
| abstract_inverted_index.steroids | 13 |
| abstract_inverted_index.targeted | 105 |
| abstract_inverted_index.abundance | 65 |
| abstract_inverted_index.achieved. | 154 |
| abstract_inverted_index.analysis, | 166 |
| abstract_inverted_index.analysis. | 27 |
| abstract_inverted_index.analytes. | 106 |
| abstract_inverted_index.awareness | 171 |
| abstract_inverted_index.capillary | 126 |
| abstract_inverted_index.confident | 108, 146 |
| abstract_inverted_index.different | 43 |
| abstract_inverted_index.entirety. | 60 |
| abstract_inverted_index.extracted | 81 |
| abstract_inverted_index.metabolic | 39 |
| abstract_inverted_index.molecular | 68 |
| abstract_inverted_index.purposes. | 40 |
| abstract_inverted_index.Therefore, | 118 |
| abstract_inverted_index.additional | 116 |
| abstract_inverted_index.androgenic | 12 |
| abstract_inverted_index.assignment | 148 |
| abstract_inverted_index.developed. | 135 |
| abstract_inverted_index.dimension. | 117 |
| abstract_inverted_index.importance | 174 |
| abstract_inverted_index.limitation | 50 |
| abstract_inverted_index.reasonable | 31 |
| abstract_inverted_index.resolution | 71 |
| abstract_inverted_index.separation | 177 |
| abstract_inverted_index.structural | 147 |
| abstract_inverted_index.structures | 19, 33 |
| abstract_inverted_index.challenging | 78 |
| abstract_inverted_index.contributes | 158 |
| abstract_inverted_index.metabolites | 8 |
| abstract_inverted_index.transitions | 100 |
| abstract_inverted_index.composition, | 45 |
| abstract_inverted_index.insufficient | 181 |
| abstract_inverted_index.spectrometry | 47, 73, 94 |
| abstract_inverted_index.(20OHnorTHMT) | 6 |
| abstract_inverted_index.acquisitions. | 89 |
| abstract_inverted_index.chromatograms | 83 |
| abstract_inverted_index.diastereomers | 152 |
| abstract_inverted_index.hydroxymethyl | 4 |
| abstract_inverted_index.metandienone. | 16 |
| abstract_inverted_index.spectrometric | 183 |
| abstract_inverted_index.chromatography | 113 |
| abstract_inverted_index.diastereomeric | 32 |
| abstract_inverted_index.discrimination | 53, 137 |
| abstract_inverted_index.identification | 79, 109 |
| abstract_inverted_index.chromatographic | 121, 176 |
| abstract_inverted_index.discrimination. | 184 |
| abstract_inverted_index.methyltestosterone | 14 |
| abstract_inverted_index.Tetrahydromethyltestosterone | 0 |
| abstract_inverted_index.18-nortetrahydromethyltestosterone | 5 |
| cited_by_percentile_year | |
| countries_distinct_count | 2 |
| institutions_distinct_count | 4 |
| sustainable_development_goals[0].id | https://metadata.un.org/sdg/16 |
| sustainable_development_goals[0].score | 0.6800000071525574 |
| sustainable_development_goals[0].display_name | Peace, Justice and strong institutions |
| citation_normalized_percentile.value | 0.32890899 |
| citation_normalized_percentile.is_in_top_1_percent | False |
| citation_normalized_percentile.is_in_top_10_percent | False |