{"id":"W3012331755","doi":"10.1002/rcm.8781","title":"Fragmentation study of clerodane diterpenes from <i>Casearia</i> species by tandem mass spectrometry (quadrupole time‐of‐flight and ion trap)","year":2020,"lang":"en","type":"article","venue":"Rapid Communications in Mass Spectrometry","topic":"Plant-Derived Bioactive Compounds","field":"Chemistry","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"York University","funders":"Conselho Nacional de Desenvolvimento Científico e Tecnológico; Coordenação de Aperfeiçoamento de Pessoal de Nível Superior; Fundação de Amparo à Pesquisa do Estado de São Paulo","keywords":"Chemistry; Tandem mass spectrometry; Fragmentation (computing); Mass spectrometry; Collision-induced dissociation; Quadrupole ion trap; Ion trap; Electrospray ionization; Tandem; Stereochemistry; Chromatography","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001373163,0.0004210203,0.0001553428,0.0005960095,0.0002815228,0.0002705049,0.0002679172,0.0004669912,0.001561036],"category_scores_gemma":[0.0003276337,0.0001116967,0.0002915657,0.0004541083,0.0001849642,0.000493963,0.0002263135,0.0003190447,0.000311896],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003565263,"about_ca_system_score_gemma":0.0002859574,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007966764,"about_ca_topic_score_gemma":0.0008398964,"domain_scores_codex":[0.9999021,0.00001042251,0.00000720033,0.00003608098,0.00002638878,0.00001781045],"domain_scores_gemma":[0.99986,0.00002700764,0.00005773587,0.00001011593,0.00002801758,0.00001712103],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00009861538,0.000009238027,0.0005624042,0.00005575304,0.00001007088,0.0001707894,0.00003306902,0.00009209206,0.996014,0.00009583888,0.0000372186,0.002820871],"study_design_scores_gemma":[0.00001457239,0.0002657336,0.01844285,0.00001694929,0.00004468418,0.001441503,0.00008632837,0.001120513,0.9759542,0.0001953613,0.002393323,0.00002403165],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9869071,0.002365614,0.006569476,0.00009852208,0.00002227271,0.00008653174,0.0009086386,0.0001058145,0.002935977],"genre_scores_gemma":[0.9859958,0.001453457,0.009815725,0.0001431071,0.00001388449,0.00004754714,0.0008448556,0.00002241498,0.001663216],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001561036,"threshold_uncertainty_score":0.005222201,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02621275153082952,"score_gpt":0.2581691144090416,"score_spread":0.2319563628782121,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}