{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00119655,0.0002470945,0.0003609732,0.00003448608,0.0003492753,0.0001348685,0.0006521489,0.000123101,0.00006478786],"category_scores_gemma":[0.001051956,0.0001469854,0.0004769015,0.0004758353,0.0002979541,0.0002527665,0.00007816944,0.0005660212,7.584756e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004996629,"about_ca_system_score_gemma":0.00009940718,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00009536538,"about_ca_topic_score_gemma":0.000003532866,"domain_scores_codex":[0.9979963,0.00005760277,0.0007252908,0.0002679697,0.0005532123,0.0003996027],"domain_scores_gemma":[0.996486,0.001606419,0.001218791,0.0003554515,0.0002481783,0.00008517598],"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":[0.0007122459,0.0001800405,0.005012555,0.0001147825,0.0001236245,5.517656e-7,0.004607401,0.0001414906,0.9815769,0.0006602613,0.004650977,0.002219198],"study_design_scores_gemma":[0.002575238,0.000296025,0.001489807,0.0001649724,0.0001792358,0.00006208373,0.00527052,0.05958764,0.9044513,0.02021186,0.005390568,0.000320768],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9890766,0.00008519791,0.002304411,0.00676802,0.000013411,0.001416328,0.00006268796,0.00003269062,0.0002407021],"genre_scores_gemma":[0.9903786,0.0001142875,0.007494471,0.001199347,0.000373237,0.0002897741,0.00003998852,0.00002816381,0.00008208775],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.07712559,"threshold_uncertainty_score":0.599389,"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."}}