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MS-DIAL specifications


Unique identifier OMICS_09017
Software type Application/Script
Interface Command line interface, Graphical user interface
Restrictions to use None
Operating system Windows
Computer skills Advanced
Stability Stable
Maintained Yes


No version available


  • person_outline Oliver Fiehn
  • person_outline Masanori Arita

Publication for MS-DIAL

MS-DIAL citations


Metabolic profiling of sourdough fermented wheat and rye bread

Sci Rep
PMCID: 5890289
PMID: 29632321
DOI: 10.1038/s41598-018-24149-w

[…] h an in-house standard library, previously published literature, and freely available MS spectral databases. The tentative annotation of compounds based on spectral database searches was performed in MS-DIAL. For some of the compounds with no spectral database matches, tentative IDs were given based on in silico generated MS/MS spectra acquired from molecular database entries using MS-FINDER softw […]


Explaining combinatorial effects of mycotoxins Deoxynivalenol and Zearalenone in mice with urinary metabolomic profiling

Sci Rep
PMCID: 5830882
PMID: 29491435
DOI: 10.1038/s41598-018-21555-y

[…] Metabolite identification process was conducted by comparing the measured mass spectra with standard mass spectra and the retention index in FiehnLib with MS DIAL software. The raw data (Table ) were treated with series steps of treatment, including: (1) Removing the unknowns. (2) Dealing with duplicates. The duplicates linear relationship test was appl […]


Serum profile changes in postpartum women with a history of childhood maltreatment: a combined metabolite and lipid fingerprinting study

Sci Rep
PMCID: 5823924
PMID: 29472571
DOI: 10.1038/s41598-018-21763-6

[…] te and the multivariate approaches using tandem mass spectrometry (MS/MS): bilirubin IXa, PGH2-EA, ubiquinone 8, PA(O-18:0/12:0), PC(O-18:0/20:0), PI(20:0/20:4), PI(22:2/20:5), and DG(18:0/20:3/0:0). MS-DIAL (version 2.54) was used to compare MS/MS fragmentation data obtained from LC-MS/MS runs at fixed collision energies (10, 20, 40 V) against in-built MS/MS reference library LipidBlast. In addit […]


In vivo validation of anti malarial activity of crude extracts of Terminalia macroptera, a Malian medicinal plant

Malar J
PMCID: 5800286
PMID: 29402267
DOI: 10.1186/s12936-018-2223-7
call_split See protocol

[…] performed after DAD using a split 1:1 between CAD and Orbitrap.Data processing and statistical analysis were performed as previously described []. Briefly, the UHPLC-HRMS raw data were processed with MS-Dial v.2.56 for mass signal extraction and peaks alignment []. Molecular formula prediction and compound annotation of significant features (m/z, RT pairs) were calculated with MS-FINDER 2.10 []. O […]


Lipidomics unveils the complexity of the lipidome in metabolic diseases

PMCID: 5786598
PMID: 29374337
DOI: 10.1186/s40169-018-0182-9

[…] LipidBlast ( [, ]. Freely available software which combines one or more of the above steps includes the Analysis of Lipid Experiments (ALEX), Lipostar, MS-DIAL, and lipid mass spectrum analysis (LIMSA) platforms [–]. Numerous commercially available and instrument vendor-specific software packages have also been developed to streamline lipidomics data […]


Obesogenic diets alter metabolism in mice

PLoS One
PMCID: 5764261
PMID: 29324762
DOI: 10.1371/journal.pone.0190632
call_split See protocol

[…] Both lipidomic and HILIC data processing was performed using MS-DIAL [] for deconvolution, peak picking, alignment, and identification. For both data sets, in house m/z and retention time libraries were used in addition to MS/MS spectra databases in msp format […]


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MS-DIAL institution(s)
Supported by the NSF-JST Strategic International Collaborative Research Program (SICORP) for JP-US metabolomics, the US National Science Foundation (NSF MCB 113944), National Institutes of Health (NIH) (Grants P20 HL113452 and U24 DK097154), the Japan Science and Technology Agency (JST)-Core Research for Evolutionary Science and Technology (JST-CREST), and Database Integration Coordination Program by National Bioscience Database Center.

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