{"id":"W2119353977","doi":"10.1007/s13361-011-0092-1","title":"Towards Understanding the Tandem Mass Spectra of Protonated Oligopeptides. 2: The Proline Effect in Collision-Induced Dissociation of Protonated Ala-Ala-Xxx-Pro-Ala (Xxx = Ala, Ser, Leu, Val, Phe, and Trp)","year":2011,"lang":"en","type":"article","venue":"Journal of the American Society for Mass Spectrometry","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":64,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Chemistry; Protonation; Polyproline helix; Proline; Oxazolone; Stereochemistry; Tandem mass spectrometry; Collision-induced dissociation; Proton affinity; Electrospray ionization; Peptide bond; Peptide; Mass spectrometry; Amino acid; Ion; Chromatography; Biochemistry; Organic chemistry","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"],"consensus_categories":[],"category_scores_codex":[0.002389843,0.0004465925,0.001072241,0.0001778004,0.0003847513,0.00006507783,0.001221408,0.0002034729,0.0001819199],"category_scores_gemma":[0.0003728998,0.000254962,0.001061333,0.002397209,0.0006087738,0.0001913972,0.0002496629,0.001057253,4.572424e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001154396,"about_ca_system_score_gemma":0.0003151094,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001639415,"about_ca_topic_score_gemma":0.00001407987,"domain_scores_codex":[0.9965896,0.0001814456,0.001274872,0.0003996154,0.0009656413,0.0005888198],"domain_scores_gemma":[0.9949861,0.0006163901,0.003259073,0.0006962588,0.0003215654,0.0001205992],"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":[0.0006123484,0.0005305784,0.02976224,0.0004157133,0.001148463,0.000003205398,0.002208599,0.00002497212,0.9608344,0.002877418,0.0009644689,0.0006175611],"study_design_scores_gemma":[0.002837769,0.001591157,0.02350972,0.0004439639,0.0005627444,0.00005724497,0.006768986,0.001724311,0.928541,0.03324176,0.0002065141,0.0005148388],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9846036,0.0002360895,0.004760016,0.003007622,0.00006470688,0.003960691,0.0001022814,0.00005900858,0.003206026],"genre_scores_gemma":[0.9889644,0.000337355,0.00987068,0.0001043655,0.000149907,0.0003263447,0.000006832709,0.00007480643,0.0001652694],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03229344,"threshold_uncertainty_score":0.9999903,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03264037341772141,"score_gpt":0.2862184002731487,"score_spread":0.2535780268554273,"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."}}