| scholarly article | Q13442814 |
| P50 | author | Thomas Hankemeier | Q28540616 |
| Theo Reijmers | Q55406542 | ||
| Rob J Vreeken | Q56543011 | ||
| P2093 | author name string | Julio E Peironcely | |
| Leon Coulier | |||
| Miguel Rojas-Chertó | |||
| Theo Reijmers | |||
| Albert Tas | |||
| P2860 | cites work | In silico fragmentation for computer assisted identification of metabolite mass spectra | Q21284354 |
| HMDB: a knowledgebase for the human metabolome | Q24655295 | ||
| Elemental composition determination based on MSn | Q27134827 | ||
| Metabolite Identification Using Automated Comparison of High-Resolution Multistage Mass Spectral Trees | Q27156570 | ||
| OMG: Open Molecule Generator | Q27499209 | ||
| MassBank: a public repository for sharing mass spectral data for life sciences | Q27809667 | ||
| Identifying the Unknowns by Aligning Fragmentation Trees | Q28530233 | ||
| Mass-spectrometry-based metabolomics: limitations and recommendations for future progress with particular focus on nutrition research | Q29014502 | ||
| Computing fragmentation trees from tandem mass spectrometry data | Q33779369 | ||
| Metabolite identification and molecular fingerprint prediction through machine learning. | Q34344462 | ||
| De novo analysis of electron impact mass spectra using fragmentation trees | Q34346807 | ||
| MolFind: a software package enabling HPLC/MS-based identification of unknown chemical structures | Q36469246 | ||
| Computational strategies for metabolite identification in metabolomics | Q37810161 | ||
| Development of Ecom₅₀ and retention index models for nontargeted metabolomics: identification of 1,3-dicyclohexylurea in human serum by HPLC/mass spectrometry | Q42202750 | ||
| Automated strategies to identify compounds on the basis of GC/EI-MS and calculated properties | Q45826728 | ||
| Consensus Structure Elucidation Combining GC/EI-MS, Structure Generation, and Calculated Properties | Q56705251 | ||
| Integrated analytical and computer tools for structure elucidation in effect-directed analysis | Q56705252 | ||
| Spectral trees as a robust annotation tool in LC–MS based metabolomics | Q57773958 | ||
| P4510 | describes a project that uses | mass spectrometry | Q180809 |
| P433 | issue | 7 | |
| P407 | language of work or name | English | Q1860 |
| P921 | main subject | automation | Q184199 |
| metabolomics | Q12149006 | ||
| metabolite identification | Q116678277 | ||
| P304 | page(s) | 3576-3583 | |
| P577 | publication date | 2013-03-21 | |
| P1433 | published in | Analytical Chemistry | Q485223 |
| P1476 | title | Automated pipeline for de novo metabolite identification using mass-spectrometry-based metabolomics | |
| P478 | volume | 85 |
| Q39884399 | A guide to the identification of metabolites in NMR-based metabonomics/metabolomics experiments. |
| Q39169817 | Automated LC-HRMS(/MS) approach for the annotation of fragment ions derived from stable isotope labeling-assisted untargeted metabolomics |
| Q48039445 | Automatic chemical structure annotation of an LC-MS(n) based metabolic profile from green tea. |
| Q28660148 | CASMI: And the Winner is . . |
| Q28831370 | Development of Database Assisted Structure Identification (DASI) Methods for Nontargeted Metabolomics |
| Q38263691 | Getting the right answers: understanding metabolomics challenges |
| Q38167286 | High resolution mass spectrometry based techniques at the crossroads of metabolic pathways |
| Q45370464 | Identification of the chemical components of Saussurea involucrata by high-resolution mass spectrometry and the mass spectral trees similarity filter technique |
| Q47384043 | Identification of the chemical constituents of Chinese medicine Yi-Xin-Shu capsule by molecular feature orientated precursor ion selection and tandem mass spectrometry structure elucidation |
| Q47822041 | InSourcerer: a high-throughput method to search for unknown metabolite modifications by mass spectrometry. |
| Q114869084 | MSNovelist: de novo structure generation from mass spectra |
| Q28645696 | MassCascade: Visual Programming for LC-MS Data Processing in Metabolomics |
| Q39061020 | Metabolic systems biology: a brief primer. |
| Q38256642 | Metabolomic-based strategies for anti-parasite drug discovery. |
| Q36219880 | Metabolomics Identifies Multiple Candidate Biomarkers to Diagnose and Stage Human African Trypanosomiasis |
| Q31036754 | Mining molecular structure databases: Identification of small molecules based on fragmentation mass spectrometry data |
| Q50569279 | PredRet: prediction of retention time by direct mapping between multiple chromatographic systems. |
| Q38875972 | Recent (2000-2015) developments in the analysis of minor unknown natural products based on characteristic fragment information using LC-MS. |
| Q35052274 | Self-organizing maps: a versatile tool for the automatic analysis of untargeted imaging datasets |
| Q41889848 | Small Molecule Identification with MOLGEN and Mass Spectrometry |
| Q35715135 | Using fragmentation trees and mass spectral trees for identifying unknown compounds in metabolomics |
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