{"id":"W2022720289","doi":"10.1002/jms.891","title":"Fragmentation reactions of deprotonated peptides containing proline. The proline effect","year":2005,"lang":"en","type":"article","venue":"Journal of Mass Spectrometry","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":63,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Chemistry; Proline; Tripeptide; Fragmentation (computing); Deprotonation; Stereochemistry; Sarcosine; Protonation; Collision-induced dissociation; Amino acid; Ion; Tandem mass spectrometry; Organic chemistry; Mass spectrometry; Biochemistry; Chromatography; Glycine","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":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0008621335,0.0001962488,0.0003955925,0.0003256112,0.0001312707,0.0000415152,0.000402534,0.0001161452,0.002687444],"category_scores_gemma":[0.0002319496,0.0001341047,0.0002578222,0.0006123945,0.00007826714,0.0002032641,0.00003585654,0.0006668515,0.000009071284],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002394565,"about_ca_system_score_gemma":0.00007196295,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001406604,"about_ca_topic_score_gemma":0.000003481452,"domain_scores_codex":[0.9981117,0.00005361286,0.0009090157,0.0001726677,0.0004963108,0.0002566807],"domain_scores_gemma":[0.9978006,0.000332612,0.001185944,0.000353283,0.0002381022,0.00008940294],"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":[0.0002800662,0.0002895743,0.01034046,0.000162081,0.000221657,0.000007731375,0.00008121044,0.0001656223,0.9782047,0.002734926,0.0007090092,0.006802991],"study_design_scores_gemma":[0.001216223,0.0006190044,0.00278081,0.0001595185,0.0001665455,0.0003051189,0.0002499532,0.0007833836,0.9753914,0.002166103,0.01596965,0.0001923162],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9555026,0.0004514288,0.004632388,0.002838448,0.00005897433,0.0004964306,0.00001796112,0.00009651266,0.03590521],"genre_scores_gemma":[0.9757872,0.000140768,0.02269931,0.00005116713,0.000731503,0.00006947511,0.000008428657,0.00002941859,0.0004827479],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03542246,"threshold_uncertainty_score":0.9982243,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00960985287360406,"score_gpt":0.2769017087514152,"score_spread":0.2672918558778111,"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."}}