Lipidomics

Lipid annotations you can trust.

Rule-based annotation that reports only what the data supports: species level where the evidence stops at formula and class, molecular species level where the fragments resolve the chains. Every call carries the evidence behind it.

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The bottleneck

In lipidomics, everything looks like everything else

One accurate mass fits half a dozen plausible lipids inside a couple of parts per million, and their MS2 spectra are variations on the same theme. No single measurement separates them. An annotation resting on one line of evidence is a guess with a decimal point on it, which is why the only honest approach is to use every piece of information the data holds.

Six candidate lipids within 1.3 ppm of the same accurate mass
MS2 spectra that differ by a fragment or two, not a fingerprint
Confidence that is asserted rather than computed

The workflow

From raw files to something you can publish.

Every step ships with default settings. You may customise each one, but you don’t have to.

Import
All major vendors, including ion mobility data where you acquire it.
Detect and resolve
Feature detection tuned for the lipid elution profile.
Annotate by rule
Class and ion specific fragmentation rules, reported at the depth the fragments actually support.
Extend the rules
Add your own lipid classes and fragmentation rules when the built-in set stops short.
Score the evidence
Six independent lines of evidence combined into one number, each shown with its basis.
Review in the dashboard
Class coverage, isotope patterns, Kendrick plots and matched MS2 signals in one place.

The annotation score

One score, six lines of evidence.

No single measurement separates two lipids that differ by a double bond position. So every line of evidence the data holds is scored on its own and combined into one number, with the basis for each printed next to it. You can see which part of the call is strong and which part is carrying the doubt.

Lipid annotation quality

TG 18:1_18:1_18:2 [M+NH4]+

Overall quality85%

High confidence

MS1 mass accuracy74%

-1.29 ppm

MS2 diagnostics83%

83.4% explained intensity, against class and ion specific fragmentation rules

Lipid ion vs ion identity100%

Feature [M+NH4]+ against lipid [M+NH4]+

Isotope pattern93%

Similarity score 0.93

Elution order100%

Carbon number trend 100%, double bond equivalent trend 100%

Interference risk100%

No competing lipid classes at this mass

Capabilities

What you get out of the box.

Lipid structure with two fatty-acid chains resolved to individual fragment peaks in the spectrum

LSI shorthand notation

Rule-based lipid annotations, respecting structural depth and shorthand notation as recommended by the Lipidomics Standard Initiative.

Custom classes and rules

Create your own custom lipid classes and fragmentation rules.

Lipid-aware QC

Quality control tools including Kendrick Mass Defect (KMD) plots, equivalent carbon number plots, and annotated MS2 spectra.

Every dimension used

Retention time, accurate mass, fragmentation and, where you acquire it, ion mobility. All of it feeds the same annotation score rather than sitting in separate columns.

In the software

The lipid dashboard.

Every annotation carries its own evidence: which fragments matched, how the isotope pattern compared with theory, and where the species sits against the equivalent carbon number model for its class. That is what makes a chain-resolved identification defensible rather than asserted.