{"id":"W1961795047","doi":"10.1002/rcm.7395","title":"Phenyl group participation in rearrangements during collision‐induced dissociation of deprotonated phenoxyacetic acid","year":2015,"lang":"en","type":"article","venue":"Rapid Communications in Mass Spectrometry","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University","funders":"Natural Sciences and Engineering Research Council of Canada; Atlantic Canada Opportunities Agency","keywords":"Chemistry; Fragmentation (computing); Dissociation (chemistry); Collision-induced dissociation; Isotopic labeling; Ion; Mass spectrometry; Intramolecular force; Quadrupole ion trap; Substituent; Density functional theory; Decarboxylation; Deprotonation; Computational chemistry; Ion trap; Tandem mass spectrometry; Stereochemistry; Physical chemistry; Organic chemistry; Chromatography; Catalysis","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":[0.0002046645,0.0002997686,0.0001027313,0.0001659941,0.0002428146,0.0001999008,0.0004852345,0.0002366364,0.001487738],"category_scores_gemma":[0.0002996989,0.0001081027,0.0001008393,0.000180312,0.0003392893,0.0002885448,0.0002237082,0.0002533128,0.000234693],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003210476,"about_ca_system_score_gemma":0.0002954719,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009500631,"about_ca_topic_score_gemma":0.0008644958,"domain_scores_codex":[0.9999112,0.00001041855,0.000003305862,0.00001842287,0.00003100375,0.00002560547],"domain_scores_gemma":[0.9999195,0.00003078595,0.00002466661,0.000008765122,0.00001017578,0.000006108954],"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":[0.001726586,0.0001836401,0.01372882,0.001025893,0.00005463256,0.002418168,0.000390306,0.0330985,0.9127734,0.01220846,0.0008733802,0.02151816],"study_design_scores_gemma":[0.0001898639,0.001351924,0.01459283,0.00005527219,0.00006798415,0.00108942,0.0002768765,0.1151931,0.8586106,0.003298682,0.005232934,0.00004061866],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9904061,0.0004604807,0.006706402,0.0001065828,0.00001458671,0.00003673568,0.0001596183,0.00004466379,0.002064885],"genre_scores_gemma":[0.9976107,0.0003881979,0.001566951,0.00002664478,0.000003804657,0.00002444349,0.0001418609,0.000006405012,0.0002309733],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001487738,"threshold_uncertainty_score":0.004976988,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04503049197263367,"score_gpt":0.3302284381354059,"score_spread":0.2851979461627723,"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."}}