{"id":"W2087232329","doi":"10.1021/ac070802d","title":"Simultaneous Characterization of Perfluoroalkyl Carboxylate, Sulfonate, and Sulfonamide Isomers by Liquid Chromatography−Tandem Mass Spectrometry","year":2007,"lang":"en","type":"article","venue":"Analytical Chemistry","topic":"Per- and polyfluoroalkyl substances research","field":"Environmental Science","cited_by":247,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Sulfonate; Carboxylate; Perfluorooctane; Alkyl; Tandem mass spectrometry; Mass spectrometry; Chromatography; Sulfonamide; Structural isomer; Liquid chromatography–mass spectrometry; Fast atom bombardment; Medicinal chemistry; Organic chemistry","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0006910056,0.001152979,0.0005671384,0.001835787,0.00039468,0.000537184,0.000413964,0.0006567067,0.0007053555],"category_scores_gemma":[0.0009066314,0.0003127503,0.0003412985,0.0007331934,0.000373731,0.0003931288,0.0004024307,0.0005007393,0.0004568972],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005919351,"about_ca_system_score_gemma":0.001191131,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002569186,"about_ca_topic_score_gemma":0.004265212,"domain_scores_codex":[0.9991471,0.00009704319,0.00005249181,0.0002020397,0.0004224004,0.00007892739],"domain_scores_gemma":[0.9995498,0.00007308545,0.00007784626,0.00002147774,0.0002222471,0.00005561008],"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":[0.0001339018,0.00003501894,0.002482525,0.00005268816,0.00002678522,0.00006706918,0.00003078198,0.0001061599,0.9844844,0.0001011519,0.00008947774,0.01238998],"study_design_scores_gemma":[0.00001910817,0.0003118493,0.008056559,0.00001315252,0.00004915283,0.0005628415,0.00003831159,0.003512505,0.9835073,0.0001472577,0.003755278,0.00002669863],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8856131,0.009172032,0.09793446,0.0002962622,0.0001261045,0.0003822682,0.002366102,0.000835614,0.003274127],"genre_scores_gemma":[0.8210447,0.008506333,0.1570489,0.0008891627,0.0001265467,0.0007182107,0.003152461,0.0001566904,0.008356915],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002569186,"threshold_uncertainty_score":0.005108476,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005636982504294793,"score_gpt":0.2359742103067763,"score_spread":0.2303372278024815,"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."}}