- by /u/kyrasoulaHello everyone, do you have any ideas on how I could explain the following statement and how it can be achieved? "Metabolomics can be used to determine markers for disease state and prognosis" Thank you in advance! submitted by /u/kyrasoula [link] [comments]
- by /u/DrymoglossumAn Open invitation to join mass spectrometry omics discord group mass spectrometry omics discord group submitted by /u/Drymoglossum [link] [comments]
- by /u/Drymoglossumsubmitted by /u/Drymoglossum [link] [comments]
- by /u/DiligentBrain7445I am kind of confused if I am doing this right. I need to extract features from my spectra before doing any statistical testing. I used MSConvert with zlib compression and peak picking with continuous wavelet transform to get my data to a size that will work with MetaboAnalyst. I know the spectral processing through MetaboAnalyst does peak picking too though, so am I overfitting my data or will it not matter because it will select the same peaks? How can I get the mzML files to be smaller than 50 MB without doing the peak picking before MetaboAnalyst? submitted […]
- by /u/DiligentBrain7445I’m trying to analyze some untargeted metabolomics data that was collected on a ThermoVanquish UPLC – Q-Exactive Orbitrap MS system. I reduced the files from their raw data size down to below 200 MB mzML files by using zlib compression and CWT peak picking. I then zipped the files. I tried to upload these zipped files and metadata.txt that has just the file name and the sample group to MetaboAnalyst to do spectral processing, but it uploads the metadata and then doesn’t upload the actual spectra data. I double checked the names and they match. I have no idea why […]
- by /u/sidharth45What could be the reason for this error? I have run some samples in lcms orbitrap to analyse the mebatolic changes in mcf-7 after treatment. Since I’m very new to this field, I got no idea what went wrong. So pls help me understand what is the problem here submitted by /u/sidharth45 [link] [comments]
- by /u/sidharth45Hello all, like I said before in my previous post Im pretty new to omics technology. I have run some samples in lcms and I have tried to analyse the data using mzmine. But I am getting an error message as shown in the image attached. Please help me what to do and what might be reason for this error. submitted by /u/sidharth45 [link] [comments]
- by /u/WaviLabHas anyone made the transition from a triple quad LCMSMS to an Orbitrap for non-targeted PFAs testing? I plan to open a PFAs testing lab in the next year. Any advice or suggestions? The number of compounds an orbitrap can test for makes it a very lucrative investment for PFAs labs. I have multiple orbitraps & will probably only use 1-2 in my lab. If anyone is in the market for an orbi, I can supply one for $40k-50k under market price. I hate these companies that rip scientists off with huge markups. submitted by /u/WaviLab [link] [comments]
- by /u/Few-Conclusion2888Hi, I have new samples, which are from small piglets small intestent. The samples were collected using a buffer. Im trying to make a protocol for the preparation for NMR metabolic analysis. There is like no literature about this so I mainly used protocols for fecal sample preparation. If someone had some better idea, let me know. Thanks The protocol (it is a bit vague. Dont get into specific volumes, just the principle): Centrifugation at 14,000 × g for 10 minutes at 4°C or vortexing for 10 minutes (to remove solid residues). Addition of extraction solvent: MeOH/H2O 1:1 (recommended for […]
- by /u/0dd1ti3Greetings all. I have an idea for a project, but I’m not quite sure of the methodology for identifying unknown metabolites(or simply detecting their presence). I suspect my favorite protein (MFP) binds metabolites. I regularly affinity purify MFP and have successfully used LC-MS/MS to identify proteins complexed to MFP. I do not know what specific metabolites bind, but suspect a specific structural class. I’m not sure how to process my affinity purified material to ensure I do not lose metabolites or what is required to prepare a metabolite containing sample for analysis. Most of my contacts look for a very […]
- by /u/sidharth45Hello people. I’m a newbie in the field. I’m trying to learn metabolomics and I want to get a hands on analysis sample data using different free tools to analyse omics data. Can anyone please share me their csv files or any other files so that I can try metaboanalyst or MSdial etc. I don’t have any seniors who are working on metabolomics or who has worked on metabolomics and I don’t have any guidance for the same. Pls pls pls help me. 🙏🏻 submitted by /u/sidharth45 [link] [comments]
- by /u/atatime90Hello! I'm working on spectral matching of small molecules. I'm exploring different tools, but currently we're interested in the GNPS platform. I occasionally run into the problem of having large m/z errors (ppm of hundreds to thousands!) in library matching. There are no problem with ubiquitous fatty acids and nucleosides (almost 0 error), but I always have some trouble with polyphenols, terpenes etc. I'm using an Orbitrap LC MS/MS instrument. What do you think are the factors affecting the large mzerror? Do you think the level of separation (gradient elution method) in the LC has something to do with it? […]
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