المؤلفون: Dritan Kodra (11859455), Petros Pousinis (11859458), Panagiotis A. Vorkas (11859461), Katerina Kademoglou (5135105), Theodoros Liapikos (11859464), Alexandros Pechlivanis (704791), Christina Virgiliou (3689095), Ian D. Wilson (368016), Helen Gika (368012), Georgios Theodoridis (368014)

مصطلحات موضوعية: Biochemistry, Sociology, Cancer, Science Policy, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, unidentified analyte ), unambiguously identified analyte, still unregulated area, schemes provided guidance, independent research groups, metabolomics standards initiative, give five levels, current practice adhering, reporting metabolite identification, metabolomics research community, confident reporting level, ms untargeted metabolomics, metabolomics community, metabolite identification, ms metabolomics, metabolomics including, four levels, untargeted lc, current lc, systematically review, proposed ranging, papers following, long ago, logical steps

Relation: https://figshare.com/articles/journal_contribution/Is_Current_Practice_Adhering_to_Guidelines_Proposed_for_Metabolite_Identification_in_LC-MS_Untargeted_Metabolomics_A_Meta-Analysis_of_the_Literature/17302895

الاتاحة: https://doi.org/10.1021/acs.jproteome.1c00841.s001

المؤلفون: Fausto Carnevale Neto (6116801), Daniel Raftery (186766)

مصطلحات موضوعية: Biochemistry, Medicine, Genetics, Biotechnology, Sociology, Cancer, Inorganic Chemistry, Plant Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, NAP, unsupervised substructure discovery, MS 2 library search, MS 2 spectra, data preprocessing software, MS 2-based annotation, Integrated Mass Spectral Similarity., MS 2-based fragmentation studies, ClassyFire chemical ontology, metabolite annotation, Urinary Metabolite Annotation, MSI, orthogonal annotation methods, 2LDA, metabolomics standards initiative, silico tool network annotation prop., ESI, MS 2 library searches

Relation: https://figshare.com/articles/journal_contribution/Expanding_Urinary_Metabolite_Annotation_through_Integrated_Mass_Spectral_Similarity_Networking/16455372

الاتاحة: https://doi.org/10.1021/acs.analchem.1c02041.s001

المؤلفون: Fausto Carnevale Neto (6116801), Daniel Raftery (186766)

مصطلحات موضوعية: Biochemistry, Medicine, Genetics, Biotechnology, Sociology, Cancer, Inorganic Chemistry, Plant Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, NAP, unsupervised substructure discovery, MS 2 library search, MS 2 spectra, data preprocessing software, MS 2-based annotation, Integrated Mass Spectral Similarity., MS 2-based fragmentation studies, ClassyFire chemical ontology, metabolite annotation, Urinary Metabolite Annotation, MSI, orthogonal annotation methods, 2LDA, metabolomics standards initiative, silico tool network annotation prop., ESI, MS 2 library searches

Relation: https://figshare.com/articles/dataset/Expanding_Urinary_Metabolite_Annotation_through_Integrated_Mass_Spectral_Similarity_Networking/16455375

الاتاحة: https://doi.org/10.1021/acs.analchem.1c02041.s002