{"id":"W2072099150","doi":"10.1021/ac201646z","title":"Electrospray Ionization Tandem Mass Spectrometry Analysis of the Reactivity of Structurally Related Bromo-methyl-benzoquinones toward Oligonucleotides","year":2011,"lang":"en","type":"article","venue":"Analytical Chemistry","topic":"Water Treatment and Disinfection","field":"Environmental Science","cited_by":19,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Adduct; Electrospray ionization; Bromide; Tandem mass spectrometry; Oligonucleotide; Mass spectrometry; Benzoquinone; Halogenation; Fragmentation (computing); Medicinal chemistry; Chromatography; Stereochemistry; Organic chemistry; DNA; Biochemistry","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":[0.0003025361,0.0004985551,0.0001713227,0.0003690796,0.0001623985,0.0001580294,0.0002463042,0.0004086485,0.0008636733],"category_scores_gemma":[0.0004762915,0.0001371995,0.0001654291,0.0001896771,0.0002125624,0.0001882481,0.0001375777,0.0002616786,0.0002553436],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001859655,"about_ca_system_score_gemma":0.0001322123,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004120519,"about_ca_topic_score_gemma":0.000425306,"domain_scores_codex":[0.9997675,0.00003894537,0.000008971121,0.00005856347,0.0001007983,0.00002521499],"domain_scores_gemma":[0.9997126,0.0000957275,0.00007017513,0.00001003613,0.00006791379,0.00004348709],"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":[0.00002859232,0.000007309891,0.000201518,0.00001211829,0.000003773813,0.00001636137,0.00001311103,0.00004352455,0.9991139,0.00001277445,0.000008896505,0.0005381394],"study_design_scores_gemma":[0.00001119011,0.0004698897,0.006013054,0.000005377758,0.00001565673,0.0002333413,0.00003717851,0.00175737,0.9904916,0.00004390922,0.0009110595,0.00001029472],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9834927,0.001518112,0.01349481,0.00006271475,0.00002739543,0.00004365038,0.0002568038,0.0001241705,0.0009795704],"genre_scores_gemma":[0.9822374,0.0008799764,0.01444846,0.0001384891,0.00001698074,0.00007778684,0.0004958673,0.00002083442,0.001684203],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008636733,"threshold_uncertainty_score":0.002889276,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01127858099045319,"score_gpt":0.2108657531776976,"score_spread":0.1995871721872444,"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."}}