{"id":"W2089507714","doi":"10.1021/jp046449m","title":"Fragmentation Mechanisms of Product Ions from Protonated Tripeptides","year":2004,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":42,"is_retracted":false,"has_abstract":true,"ca_institutions":"York University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Protonation; Fragmentation (computing); Ion; Iminium; Intramolecular force; Dissociation (chemistry); Carbene; Collision-induced dissociation; Photochemistry; Crystallography; Stereochemistry; Mass spectrometry; Physical chemistry; Organic chemistry; Tandem mass spectrometry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001149899,0.0001123846,0.0002041876,0.00001323501,0.00005686129,0.00001012465,0.0003499339,0.00004025948,0.0006559246],"category_scores_gemma":[0.00005154226,0.00007591703,0.000133378,0.0001679841,0.0000726223,0.00006249894,0.00003536702,0.0002955738,0.000002530208],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007309495,"about_ca_system_score_gemma":0.00006278077,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003764221,"about_ca_topic_score_gemma":3.999438e-7,"domain_scores_codex":[0.9991707,0.000009499086,0.0003212887,0.00009683,0.0002904312,0.0001113099],"domain_scores_gemma":[0.9989976,0.00007459288,0.0004603475,0.000274399,0.0001372115,0.0000558155],"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":[0.00004270493,0.0003278401,0.000005539254,0.00005277965,0.00004520409,0.000001384223,0.0001284973,0.000159853,0.996885,0.001879077,0.00004897737,0.0004231176],"study_design_scores_gemma":[0.0003552887,0.00003307233,0.00003305605,0.00007534996,0.00007451705,0.00001513942,0.0001224934,0.00007694086,0.9083102,0.09072448,0.0001092372,0.00007020834],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9917338,0.00005792923,0.003485113,0.0004996328,0.000006509057,0.0001197498,0.00003720213,0.00003121578,0.004028819],"genre_scores_gemma":[0.9972774,0.00001864296,0.00227803,0.00001177116,0.0002690735,0.00001851714,0.00001355756,0.00001249223,0.0001004561],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.08884539,"threshold_uncertainty_score":0.7181914,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009775081566539405,"score_gpt":0.2592313969688926,"score_spread":0.2494563154023532,"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."}}