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MetFrag specifications

Information


Unique identifier OMICS_02645
Name MetFrag
Interface Web user interface
Restrictions to use None
Computer skills Basic
Stability Stable
Maintained Yes

Maintainer


  • person_outline Sebastian Wolf <>

Publication for MetFrag

MetFrag in publications

 (30)
PMCID: 5947935
PMID: 29547277
DOI: 10.1021/acs.est.7b06604

[…] associated with the exact masses were manually matched with fragmentation patterns of the suspected structures retrieved from the mzcloud database (https://www.mzcloud.org/) or analyzed with metfrag. toxicological data of matching structures was retrieved from the pubchem bioassay database (https://pubchem.ncbi.nlm.nih.gov/) or toxcast database […]

PMCID: 5844983
PMID: 29556190
DOI: 10.3389/fnagi.2018.00051

[…] level 1). ms/ms spectra were matched against online databases such as metlin and massbank (validation level 2) or against in silico fragmentation spectra (validation level 3) retrieved from metfrag (ruttkies et al., ), cfm-id (allen et al., ) and/or csi:fingerid (dührkop et al., ) with precursor mass accuracy of 20 ppm and fragment accuracy of 0.01 da. semi-quantitative metabolite […]

PMCID: 5800620
PMID: 29408919
DOI: 10.1371/journal.pone.0192486

[…] sheath and leaf samples from above ground were collected and analyzed using the uplc-qtof-ms technique. the structural information of metabolites was deduced from online database analysis using the metfrag annotation method. the data were mainly analyzed using principal component analysis (pca) and partial least square discriminant analysis (pls-da) as well as univariate student’s t-test […]

PMCID: 5875998
PMID: 29342073
DOI: 10.3390/metabo8010008

[…] attention in recent years. there are multiple publicly available software and web servers allowing the query of experimental lc-ms and lc-ms/ms data for identification of unknowns, including metfrag and csi:fingerid [,,]., the second strategy, on the other hand, relies on the nmr technique, in which the experimental chemical shifts of unknown metabolites are sequentially assigned […]

PMCID: 5726620
PMID: 29232373
DOI: 10.1371/journal.pbio.2003467

[…] collision-induced dissociation at 0, 10, 20, and 40 ev collision energy, and fragment-ion spectra were recorded in scanning mode by high-resolution time-of-flight ms. spectra were interpreted using metfrag [], and spectral cosine similarity scores were calculated between reference spectra that were obtained in-house or library spectra from massbank of north america (mona, […]


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MetFrag institution(s)
Leibniz Institute of Plant Biochemistry- Department of Stress- and Developmental Biology, Halle, Germany

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