Fig. 3: The performance of ArchLips database in lipid identification. | Nature Communications

Fig. 3: The performance of ArchLips database in lipid identification.

From: A comprehensive database for high-throughput identification of archaeal lipids using high-resolution mass spectrometry

Fig. 3: The performance of ArchLips database in lipid identification.

A The library search of 148 MS2 spectra of archaeal lipids from the peer-reviewed literature against the high-confidence ArchLips spectral library. B Distribution of archaeal in-source fragmentation (ISF) features among different archaeal lipid classes. ISF-derived features were manually identified from quality control (QC) samples of pure cultures. C Mass spectrum of S-DGD-PA (20:0_20:0_20:0_20:0) showing the dominant M + 1 isotopologue (red peak) arises from the natural abundance of ¹³C in archaeal lipids. D Extracted ion chromatogram showing the distribution of isotopologues in S-DGD-PA (20:0_20:0_20:0_20:0). E Extracted ion chromatogram of 3Gly-GDGT-0 (m/z = 1805.5062, [M + NH4]+) detected in the M. maripaludis mutant strain and QC samples. F Spectral matching of experimental MS2 spectra of 3Gly-GDGT-0 (black, top) against referenced in silico spectra from the ArchLips database.

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