{"id":"W3011218722","doi":"10.1016/j.carres.2020.107985","title":"Diagnostic MS/MS fragmentation patterns for the discrimination between Schiff bases and their Amadori or Heyns rearrangement products","year":2020,"lang":"en","type":"article","venue":"Carbohydrate Research","topic":"Advanced Glycation End Products research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":44,"is_retracted":false,"has_abstract":false,"ca_institutions":"McGill University","funders":"Fonds de recherche du Québec – Nature et technologies; Natural Sciences and Engineering Research Council of Canada; China Scholarship Council","keywords":"Amadori rearrangement; Chemistry; Schiff base; Fragmentation (computing); Mass spectrum; Maillard reaction; Ion; Molecule; Mass spectrometry; Stereochemistry; Chromatography; Organic chemistry; Biochemistry; Glycation","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":[0.0006915821,0.001125391,0.0002702536,0.002804048,0.000583045,0.0003975216,0.0009297684,0.001042916,0.006097516],"category_scores_gemma":[0.001233602,0.000234327,0.0003318916,0.0007811937,0.0004770194,0.0008210345,0.0004550104,0.000951285,0.001454771],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000372524,"about_ca_system_score_gemma":0.0005501172,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006053065,"about_ca_topic_score_gemma":0.0008129443,"domain_scores_codex":[0.9996192,0.0000419792,0.00002783705,0.0001068083,0.0001229572,0.00008110725],"domain_scores_gemma":[0.9992279,0.0001483316,0.0001849217,0.00004834826,0.0002109535,0.0001796207],"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":[0.0008763933,0.00008199655,0.002286263,0.0001656281,0.00003953178,0.0004994508,0.00007678205,0.0001148274,0.9748855,0.0007989699,0.0004351199,0.0197396],"study_design_scores_gemma":[0.00006884732,0.0006407459,0.01386812,0.00006732422,0.00007635589,0.005048304,0.0001636935,0.003163637,0.971546,0.001024227,0.004268424,0.0000644795],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9178169,0.002789001,0.06509133,0.0008727049,0.0001892389,0.0004169444,0.00314402,0.0007574603,0.00892235],"genre_scores_gemma":[0.9186165,0.001429331,0.07342061,0.0007481276,0.0000644066,0.0002460085,0.002512311,0.0001334194,0.00282919],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006097516,"threshold_uncertainty_score":0.02039826,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1109140354237061,"score_gpt":0.3793186224110006,"score_spread":0.2684045869872945,"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."}}