Molecular Formula Identification Using Isotope Pattern Analysis and Calculation of Fragmentation Trees

scientific article published on 18 July 2014

Molecular Formula Identification Using Isotope Pattern Analysis and Calculation of Fragmentation Trees is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.5702/MASSSPECTROMETRY.S0037
P932PMC publication ID4321342
P698PubMed publication ID26819880

P50authorKai DührkopQ57191385
Sebastian BöckerQ63208429
Franziska HufskyQ64358327
P2860cites workFrom genomics to chemical genomics: new developments in KEGGQ24538628
Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometryQ27136845
Identifying the Unknowns by Aligning Fragmentation TreesQ28530233
CAMERA: an integrated strategy for compound spectra extraction and annotation of liquid chromatography/mass spectrometry data setsQ30318255
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
MetFusion: integration of compound identification strategiesQ34620986
Molecular Formula Identification with SIRIUS.Q39496250
SIRIUS: decomposing isotope patterns for metabolite identificationQ43184399
Towards de novo identification of metabolites by analyzing tandem mass spectraQ44805412
Finding maximum colorful subtrees in practiceQ45253594
Towards the plant metabolome and beyond.Q51085152
DECOMP--from interpreting Mass Spectrometry peaks to solving the Money Changing Problem.Q51897369
Metabolite identification via the Madison Metabolomics Consortium DatabaseQ59013179
Metabolite profiling: from diagnostics to systems biologyQ80513306
P433issueSpec Iss 2
P304page(s)S0037
P577publication date2014-07-18
P1433published inMass spectrometry. vol. 2 (2013)Q26842140
P1476titleMolecular Formula Identification Using Isotope Pattern Analysis and Calculation of Fragmentation Trees
P478volume3

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Q114863683A map of mass spectrometry-based in silico fragmentation prediction and compound identification in metabolomics
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