{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0002988679,0.0003556052,0.0007430075,0.0003799388,0.0001551198,0.00006891811,0.001339304,0.0001808046,0.001138833],"category_scores_gemma":[0.0001463747,0.000387159,0.0001065631,0.00128393,0.0003176976,0.000275546,0.0004005208,0.0006233985,0.00001470002],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002171434,"about_ca_system_score_gemma":0.00004748336,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002029189,"about_ca_topic_score_gemma":0.00005194442,"domain_scores_codex":[0.9973579,0.0003152688,0.0009032793,0.0005559945,0.0005290288,0.0003385521],"domain_scores_gemma":[0.996764,0.0009391216,0.0005650815,0.001496908,0.00009282692,0.0001420628],"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":[0.0001226833,0.0009484622,0.05470184,0.00005189353,0.0002486301,0.000004193485,0.001586547,0.000006554495,0.9415511,0.00009202304,0.0003660848,0.0003199581],"study_design_scores_gemma":[0.003673096,0.000655277,0.06971143,0.0001399773,0.0001665256,0.000006318893,0.01259438,0.001766048,0.9087685,0.0009378064,0.0009292921,0.0006513426],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9887982,0.002917143,0.000842745,0.00100738,0.00004321103,0.000311035,0.0005432625,0.00008800138,0.005449011],"genre_scores_gemma":[0.9867972,0.002159475,0.01021208,0.00005632742,0.00008603218,0.00003478148,0.0005360282,0.00004544207,0.00007268693],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03278262,"threshold_uncertainty_score":0.999858,"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."}}