Release Notes

“Please, sir, I want some more…”

Metabolon leads the world in the identification of small molecules in biological samples.  Do we let that stop us from continuing to deliver even more impactful insights?  Say it with me: No, we do not!

By combining the world’s most powerful metabolomics library and cutting-edge machine learning techniques, we regularly increase the number of compounds we can routinely identify in samples.  The most recent improvements to our industry-leading library include additional dipeptide and lipid classes of molecules, resulting in increased coverage in these areas for many studies.

What this means for you: If you are a repeat user of Metabolon’s Global Discovery Panel, you may see new compounds in your data that you have not seen before (winning!).  Honestly, who doesn’t want to see more compounds?  If you are not a repeat user, congratulations and welcome, heroic science person!  Keep on doing what you do to make the world a better place.

If you have questions about your study, please get in touch with your Metabolon representative.

What is the new methodology? 

Metabolon’s current Global Discovery Panel utilized four distinct LC/MS methods, namely Neg, Pos Early, Pos Late, and Polar. In this upgrade, the Polar method is being retired for two new methods: NOS and HILIC, see graphic below. We have essentially divided the original all HILIC-based separation, “Polar” method, into these two new methods: one shorter HILIC separation method and one new reverse phase (RP) method. These two new methods provide improved stability and consistency of detection for those molecules originally detected by the Polar method. These molecules include small organic acids such as TCA cycle metabolites (now on NOS method) and sugars (now on HILIC method) such as glycolysis pathway metabolites.  

 

To what level were NOS and HILIC methods validated? 

Metabolon is ISO 9001 certified, and as such we have an extensive quality management system and required validation procedures. The new methods have undergone the same rigor of analytical and biological validation as our previous methods, including analyzing a variety of different matrices to ensure data quality. As a result of this thorough validation process, you can expect to receive the same high quality metabolomics data as Metabolon has always produced. 

 

What compounds may be affected by the new release? 

Over 99% of compounds currently detected and identified on the Global Discovery Panel have similar or improved detection using the new methods. Only compounds that were previously detected by the Polar method (library ID 305) may be affected by this version upgrade. The two new methods replacing the Polar method provide improved stability and consistency of detection over time for those molecules historically called from the Polar method. 

BETTER, FASTER, STRONGER

Welcome to Metabolon’s latest set of release notes. How’s that science thing going? We hope you are changing the world today. You are a hero, and we’re proud of you; never forget that. Here are a few insights about what’s new at Metabolon.

CLIENT PORTAL

Bug fixes

• Pathway map metabolite fold change sizing fixed.
• Fixes for direct Discovery Panel link for expired tokens.

General Improvements to the Portal:

• Quality of life improvements to sign-up and login processes.
• Updated code to support the upcoming Manifest Upload page.

 

MACHINE LEARNING & ARTIFICIAL INTELLIGENCE

If you’re too young to know what SkyNet is, we recommend that you binge-watch the entire Terminator movie series now (or tonight after work; keep your job because the world needs more scientists).

• From human plasma to maize kernels and everything in between, our machine learning now looks for metabolites in whatever species matrix you send us.
• For any type of human cell, we just expanded our automated QC to provide more oversight on the core machine learning algorithm—we watch the watchmen.

SERVICES

And by “services,” we mean cool stuff like Metabolon Discovery Panels, Targeted Panels, and Single Analyte Assays (Team Oxford Comma!) that help you explore new things.

Compound Naming Update

• We were recently adding compounds to our already impressive, biologically focused, super-library when we noticed that one of the compound names was a bit ambiguous. There was a more appropriate name to describe this compound’s structure. As we strive to ensure that investigators know what actual molecule on which we are reporting (including having associated database links), we are updating the name of the molecule O-methyltyrosine to tyrosine methyl ester. Don’t worry, the chemical ID remains the same, so you will know you are still tracking the same compound from previous studies. Also, to round out the story, we are adding two new compounds to the library to fill in this molecular family, per the chart below. Enjoy!

Chemical ID	Old Name	New Name	Structure
100002078	O-methyl tyrosine	Tyrosine methyl ester
100022738		O-methyltyrosine
100022739		Metyrosine

 

• Bug fixes
• Small molecules, appropriately sized circles. Added a bug fix that more granularly resizes metabolite circles based on fold change in the Pathway Explorer tab of the Portal.
• Introduced a “fast clicker” bug fix which keeps the Pathway Explorer from crashing when clicking around too fast in the Enrichment tab.
• Accessibility Improvements
• In order to make our heatmap deliverable readable by all, expect blue and red instead of green and red cells in our heatmap deliverable soon. Bonus: This color update will match what you see in the Stats Table in the Portal!