Molecular Formula Identification with SIRIUS.

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Molecular Formula Identification with SIRIUS. is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.3390/METABO3020506
P932PMC publication ID3901276
P698PubMed publication ID24958003
P5875ResearchGate publication ID263355496

P50authorKai DührkopQ57191385
Sebastian BöckerQ63208429
Kerstin ScheubertQ116687755
P2860cites workDECOMP--from interpreting Mass Spectrometry peaks to solving the Money Changing Problem.Q51897369
Comparison of algorithms and databases for matching unknown mass spectra.Q52239212
From genomics to chemical genomics: new developments in KEGGQ24538628
Automatic recalibration and processing of tandem mass spectra using formula annotationQ27807487
Identifying the Unknowns by Aligning Fragmentation TreesQ28530233
On the inter-instrument and inter-laboratory transferability of a tandem mass spectral reference library: 1. Results of an Austrian multicenter study.Q33402532
Computing fragmentation trees from tandem mass spectrometry dataQ33779369
In silico identification software (ISIS): a machine learning approach to tandem mass spectral identification of lipids.Q34271861
Metabolite identification and molecular fingerprint prediction through machine learning.Q34344462
De novo analysis of electron impact mass spectra using fragmentation treesQ34346807
MetFusion: integration of compound identification strategiesQ34620986
SIRIUS: decomposing isotope patterns for metabolite identificationQ43184399
Towards de novo identification of metabolites by analyzing tandem mass spectraQ44805412
P275copyright licenseCreative Commons Attribution 4.0 InternationalQ20007257
P6216copyright statuscopyrightedQ50423863
P433issue2
P304page(s)506-516
P577publication date2013-06-13
P1433published inMetabolitesQ27724046
P1476titleMolecular Formula Identification with SIRIUS.
P478volume3

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Q114867790Mass spectrometry-based structure elucidation of small molecule impurities and degradation products in pharmaceutical development
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