MS1Connect: a mass spectrometry run similarity measure.

ABSTRACT:

Motivation

Interpretation of newly acquired mass spectrometry data can be improved by identifying, from an online repository, previous mass spectrometry runs that resemble the new data. However, this retrieval task requires computing the similarity between an arbitrary pair of mass spectrometry runs. This is particularly challenging for runs acquired using different experimental protocols.

Results

We propose a method, MS1Connect, that calculates the similarity between a pair of runs by examining only the intact peptide (MS1) scans, and we show evidence that the MS1Connect score is accurate. Specifically, we show that MS1Connect outperforms several baseline methods on the task of predicting the species from which a given proteomics sample originated. In addition, we show that

SUBMITTER: Lin A 

PROVIDER: S-EPMC9913042 | biostudies-literature | 2023 Feb

REPOSITORIES: biostudies-literature