{"id":"W2052889127","doi":"10.1007/s00216-014-8118-8","title":"Nontargeted SWATH acquisition for identifying 47 synthetic cannabinoid metabolites in human urine by liquid chromatography-high-resolution tandem mass spectrometry","year":2014,"lang":"en","type":"article","venue":"Analytical and Bioanalytical Chemistry","topic":"Forensic Toxicology and Drug Analysis","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":134,"is_retracted":false,"has_abstract":false,"ca_institutions":"Sciex (Canada)","funders":"National Institutes of Health","keywords":"Chemistry; Synthetic cannabinoids; Chromatography; Formic acid; Mass spectrometry; Urine; Cannabinoid; Liquid chromatography–mass spectrometry; Electrospray; Tandem mass spectrometry; Selected reaction monitoring; Detection limit","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":[0.0005870297,0.0008560006,0.0005053819,0.0009004578,0.001002464,0.0006382734,0.0006609348,0.0008892302,0.002439805],"category_scores_gemma":[0.0009439232,0.0004561185,0.0005333923,0.0004161629,0.0004320209,0.0005216465,0.0009704026,0.0006851694,0.001439709],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004306969,"about_ca_system_score_gemma":0.001385624,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003406199,"about_ca_topic_score_gemma":0.007866849,"domain_scores_codex":[0.9992899,0.00008350253,0.0000303209,0.0002017443,0.0003107239,0.00008384711],"domain_scores_gemma":[0.9997136,0.00007483688,0.00004099585,0.00002786701,0.000119975,0.00002269895],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"observational","study_design_scores_codex":[0.0008151795,0.0001354374,0.008322094,0.0001942508,0.0001426627,0.0003220874,0.0001792291,0.0002738697,0.9525055,0.0002109416,0.001348692,0.03555013],"study_design_scores_gemma":[0.00005191781,0.0005352442,0.02407214,0.00004305752,0.0001944103,0.001844742,0.0002078871,0.009440931,0.9563476,0.0002487517,0.00694354,0.00006983449],"study_design_candidate":"observational","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8884017,0.003314161,0.09565542,0.0004632748,0.0001933878,0.0004338681,0.001929863,0.002729207,0.006879093],"genre_scores_gemma":[0.9240552,0.001891156,0.06207475,0.001257162,0.00008575535,0.0004118636,0.001672675,0.0004305424,0.008120958],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003406199,"threshold_uncertainty_score":0.008161962,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02587565182848014,"score_gpt":0.3403557916536891,"score_spread":0.314480139825209,"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."}}