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Record W2123937969 · doi:10.1002/rcm.3429

Electrospray tandem mass spectrometric analysis of novel synthetic quinoxalinone derivatives

2008· article· en· W2123937969 on OpenAlexaff
Nicolas Joly, C. Jarmoumi, Mohamed Massoui, El Mokhtar Essassi, Patrick Martin, Joseph Banoub

Bibliographic record

VenueRapid Communications in Mass Spectrometry · 2008
Typearticle
Languageen
FieldChemistry
TopicSynthesis and Biological Evaluation
Canadian institutionsFisheries and Oceans CanadaMemorial University of Newfoundland
Fundersnot available
KeywordsChemistryMoietyTandem mass spectrometryElectrospray ionizationProtonationQuinoxalineElectrosprayMass spectrometryMoleculeTandemFragmentation (computing)Combinatorial chemistryStereochemistryOrganic chemistryIonChromatography

Abstract

fetched live from OpenAlex

Electrospray ionization tandem mass spectrometry (ESI-MS/MS) using a hybrid QqToF-MS/MS instrument has aided the structural characterization and differentiation of a novel series of medicinal synthetic 1-N-glycoside-quinoxalinone derivatives. These derivatives 7 and 8 are formed by an amino bond between the cyclic N-1 of the quinoxaline moiety and the C-6 position of a fully protected methyl or allyl alpha-D-mannofuranoside 3 and 4, and subsequent deprotection of the mannopyranoside moiety. In general the novel synthetic quinoxaline derivatives afforded the protonated molecules in ESI. The breakdown routes of the protonated molecules were rationalized by conducting low-energy CID-MS/MS analyses. In addition, re-confirmation of the various established fragmentation routes was achieved by conducting a series of ESI-CID-QqTof-MS/MS product ion scans on various selected precursor ions, which were initiated by CID in the atmospheric pressure/vacuum interface using a higher declustering potential. ESI-QqToF-MS/MS analysis has proven to be a specific and very sensitive method for the structural identification in the gas phase of these novel glycoquinoxalinamine derivatives.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Insufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.401
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0020.009
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0020.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0030.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.072
GPT teacher head0.312
Teacher spread0.240 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations5
Published2008
Admission routes1
Has abstractyes

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