{"id":"W2094680016","doi":"10.1021/ja0734492","title":"Infrared Multiple Photon Dissociation Spectroscopy as Structural Confirmation for GlyGlyGlyH<sup>+</sup> and AlaAlaAlaH<sup>+</sup> in the Gas Phase. Evidence for Amide Oxygen as the Protonation Site","year":2007,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":103,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Protonation; Infrared multiphoton dissociation; Dissociation (chemistry); Hydrogen bond; Molecule; Amide; Photochemistry; Proton affinity; Infrared spectroscopy; Spectroscopy; Tripeptide; Oxygen; Crystallography; Stereochemistry; Physical chemistry; Amino acid; Organic chemistry","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":[0.0002688858,0.000246724,0.0001626015,0.0003211155,0.0004440048,0.0002670328,0.0005078478,0.0005188628,0.002904177],"category_scores_gemma":[0.0005221263,0.0001820495,0.0002002661,0.0003180729,0.0003934075,0.0004900182,0.0003402376,0.0007999475,0.0003323716],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003424854,"about_ca_system_score_gemma":0.0001962642,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003691716,"about_ca_topic_score_gemma":0.0004002559,"domain_scores_codex":[0.99986,0.00002196748,0.000003490509,0.0000369476,0.00006129024,0.0000163436],"domain_scores_gemma":[0.9997653,0.0001120927,0.00005102562,0.00002297599,0.00002867581,0.00001990383],"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":[0.0005626462,0.00003420635,0.002487381,0.0001782317,0.0000203644,0.0003532666,0.00008095366,0.0006875258,0.9882621,0.002049498,0.00070732,0.004576393],"study_design_scores_gemma":[0.00004917626,0.0002006945,0.005563959,0.00001382235,0.00002030714,0.001213226,0.0001591982,0.01009612,0.9770816,0.001561965,0.004023355,0.00001663399],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9706706,0.002734517,0.01556961,0.000625629,0.0001408942,0.00003625256,0.001097294,0.0001432275,0.00898188],"genre_scores_gemma":[0.9820185,0.0007580431,0.01432639,0.0001460774,0.00001792654,0.00002446774,0.000760495,0.00002748781,0.001920747],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002904177,"threshold_uncertainty_score":0.009715438,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01708930853042846,"score_gpt":0.327479388178938,"score_spread":0.3103900796485095,"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."}}