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COLMAR specifications


Unique identifier OMICS_02857
Alternative name Complex Mixture Analysis by NMR
Interface Web user interface
Restrictions to use None
Computer skills Basic
Stability Stable
Maintained Yes

Publication for Complex Mixture Analysis by NMR

COLMAR citations


Metabolic Biomarkers of Ageing in C57BL/6J Wild Type and Flavin Containing Monooxygenase 5 (FMO5) Knockout Mice

Front Mol Biosci
PMCID: 5900034
PMID: 29686991
DOI: 10.3389/fmolb.2018.00028
call_split See protocol

[…] ological Magnetic Resonance Data Bank (BMRB, (Ulrich et al., ), the Birmingham Metabolite Library (BML, (Ludwig et al., ), and COLMAR (Complex Mixture Analysis by NMR, (Bingol et al., ). A series of 2D NMR experiments, including J-resolved, correlation spectroscopy (COSY), TOCS […]


Navigating freely available software tools for metabolomics analysis

PMCID: 5550549
PMID: 28890673
DOI: 10.1007/s11306-017-1242-7

[…] 3C chemical shifts, with the percentage match for each putative assignment being calculated. The overlap between the peak of the interest and the reference peak is calculated as the uniqueness score. Complex mixture analysis by NMR (COLMAR) (Zhang et al. ) provides three web-servers for the analysis of covariance-NMR (2D) spectra of complex mixtures, which calculate NMR covariance spectra from the […]


Noninvasive Recognition and Biomarkers of Early Allergic Asthma in Cats Using Multivariate Statistical Analysis of NMR Spectra of Exhaled Breath Condensate

PLoS One
PMCID: 5072706
PMID: 27764146
DOI: 10.1371/journal.pone.0164394
call_split See protocol

[…] n and refocusing pulses []. Reference NMR spectra were found at the Human Metabolome Database (HMDB) [, ] and Madison-Qingdao Metabolomics Consortium Database (MMCD) []. The database and server named Complex Mixture Analysis by NMR (COLMAR) 13C-1H HSQC [] was used in semi-automated comparisons of these databases’ reference spectra with the natural abundance 13C HSQC in order to identify multiple c […]


13C Metabolomics: NMR and IROA for Unknown Identification

PMCID: 5204070
PMID: 28090435
DOI: 10.2174/2213235X04666160407212156

[…] wo peaks—phenylalanine and inosine—that were easily identified from IROA LC-HRMS data alone. We were able to easily verify the LC-HRMS data following a query of the BMRB 13C database [] using COLMAR (Complex Mixture Analysis by NMR) []. Fraction 10 from 4.5-5 min (blue in Fig. 1A) contained tryptophan and an unknown feature containing 13 carbons, with an observed monoisotopic mass of the [M+H]+ io […]


Unified and Isomer Specific NMR Metabolomics Database for the Accurate Analysis of 13C–1H HSQC Spectra

ACS Chem Biol
PMCID: 4340359
PMID: 25333826
DOI: 10.1021/cb5006382

[…] ntification rate (37% increase in true positives) with fewer false identifications (false positives) than the best performing existing HSQC databases. We name this new database and query tool COLMAR (Complex Mixture Analysis by NMR) 13C–1H HSQC database. […]


NMR in Metabolomics and Natural Products Research: Two Sides of the Same Coin

Acc Chem Res
PMCID: 3284194
PMID: 21888316
DOI: 10.1021/ar2001606

[…] ose, a peak list is generated for a given DemixC trace, which is then queried against the peak lists of the components of an NMR database, such as the metabolomics BMRB or HMDB, as implemented in the COLMAR suite of web servers, ( NMR databases,, are improving and expanding rapidly, and correspondingly, their importance for metabolomics and natural products resear […]


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COLMAR institution(s)
National High Magnetic Field Laboratory, Florida State University, Tallahassee, FL, USA

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