ChromaTOF protocols

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chevron_left Metabolite identification Spectral deconvolution Metabolite quantification Metabolite quantification Metabolite identification Peak detection Spectral deconvolution chevron_right
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ChromaTOF specifications

Information


Unique identifier OMICS_09690
Name ChromaTOF
Software type Package/Module
Interface Graphical user interface
Restrictions to use License purchase required
Operating system Unix/Linux
License Commercial
Computer skills Medium
Stability Stable
Maintained Yes

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  • person_outline ChromaTOF Team <>

ChromaTOF in pipelines

 (4)
2018
PMCID: 5797631
PMID: 29440987
DOI: 10.3389/fnins.2018.00032

[…] joseph, mi) settings: unit-mass resolution at 17 spectra s−1 from 80 to 500 da at −70 ev ionization energy and 1800 v detector voltage with 230°c transfer line and 250°c ion source. data processing: chromatof vs. 2.32 without smoothing, a 3 s peak width, baseline subtraction above noise level, automatic mass spectral deconvolution and peak detection at 5:1 (signal/noise)., peak intensity values […]

2018
PMCID: 5940876
PMID: 29740146
DOI: 10.1038/s41598-018-25588-1

[…] malonic acid, malic acid, citric acid, methionine, and 2-butenedioic acid) were run to ensure reproducibility of retention indices and derivatization. data was processed, aligned, and analyzed using chromatof v. 4.51.6.0 with the statistical compare function (leco, st. joseph, mi), metaboanalyst, and in house software metabolyzer as previously described., cells were seeded at a density of 1,000 […]

2016
PMCID: 5126694
PMID: 27897248
DOI: 10.1038/srep37976

[…] selected ion monitoring (sim) mode was chosen for the instrumental analysis. peak deconvolution and the identification and selection of the characteristic ions were performed by using amdis, leco chromatof and in-house software. the spit ratio was 10:1. the carrier gas was helium, and the flow rate was 1.2 ml/min. the injector, interface and ion source temperatures were set to 280 °c, 280 °c, […]

2010
PMCID: 3015162
PMID: 21289855
DOI: 10.1007/s12566-010-0015-9

[…] to monitor air quality and identify toxic gases on board of the international space station [, ]. multiple other software solutions for the analysis of gc-ms and lc-ms exist []. that includes leco chromatof, spectralworks analyzerpro, ion signature quantitative deconvolution software, highchem massfrontier, and targetsearch []. the use of peak picking and peak detection algorithms for lc-ms […]


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ChromaTOF in publications

 (245)
PMCID: 5944366
PMID: 29774011
DOI: 10.3389/fmicb.2018.00760

[…] (restek, bellefonte, pa, united states). more detailed gas chromatography, autosampler, and mass spectrometry methods are provided in the supplementary material., sample runs were analyzed in chromatof (leco, st. joseph, mi, united states) to determine baseline, peak area, and peak identification as described previously (; ). briefly, settings included a baseline offset of 0.5, automatic […]

PMCID: 5914012
PMID: 29685148
DOI: 10.1186/s12931-018-0776-1

[…] to 500 da at − 70 ev ionization energy and 1800 v detector voltage with a 230 °c transfer line and a 250 °c ion source. raw data files were preprocessed directly after data acquisition and stored as chromatof-specific *.peg files, as generic *.txt result files and additionally as generic andi ms *.cdf files. chromatof vs. 2.32 was used for data preprocessing without smoothing, 3 s peak width, […]

PMCID: 5893800
PMID: 29670599
DOI: 10.3389/fmicb.2018.00628

[…] registry of mass spectral data (9th ed.), and vocbinbase (skogerson et al., )., the data files obtained from gc-tof-ms and uhplc-ltq-it-ms/ms analyses were converted to netcdf (*.cdf) format using chromatof software (leco corp.) and xcalibur software (version 2.00, thermo fisher scientific inc., san josé, ca), respectively. the obtained (*.cdf) data files were subjected to data pre-processing […]

PMCID: 5865180
PMID: 29572459
DOI: 10.1038/s41598-018-23110-1

[…] 1.4 ml min−1. after 1 min at 80 °c, oven temperature was increased by 30 °c min−1 to 330 °c, held at 330 °c for 3 min and cooled to 80 °c. automated deconvolution and peak finding was performed using chromatof software (leco, st. joseph, usa) and peak alignment was carried out in matlab (v6.5.1, the mathworks)., flow infusion electrospray high-resolution mass spectrometry (fie-hrms) was performed […]

PMCID: 5863372
PMID: 29588660
DOI: 10.1186/s13068-018-1073-4

[…] in split less mode coupled to a leco pegasus two time-of-flight mass spectrometer (leco, st. joseph, mi, usa) as described by weckwerth et al. []. the chromatograms were exported from the leco chromatof software (version 3.25) to the r software. peak detection, retention time alignment, and library matching were performed using the target search r-package []. metabolites were quantified […]


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ChromaTOF institution(s)
LECO Corporation, Garge-les-gonesse, France

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