Preprint Open Access

LipidQuant 1.0: automated data processing in lipid class separation - mass spectrometry quantitative workflows

Wolrab, Denise; Cífková, Eva; Čáň, Pavel; Lísa, Miroslav; Peterka, Ondřej; Chocholoušková, Michaela; Jirásko, Robert; Holčapek, Michal

We present the LipidQuant 1.0 tool for automated data processing workflows in lipidomic quantitation based on lipid class separation coupled with high-resolution mass spectrometry. Lipid class separation workflows, such as hydrophilic interaction liquid chromatography or supercritical fluid chromatography, should be preferred in lipidomic quantitation due to the coionization of lipid class internal standards with analytes from the same class. The individual steps in the LipidQuant workflow are explained, including lipid identification, quantitation, isotopic correction, and reporting results. We show the application of LipidQuant data processing to a small cohort of human serum samples.

Files (282.8 MB)
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CE_serum_2020.txt
md5:0260e430984474ab824b0fdbfff8243f
2.1 MB Download
Cer_serum_2020.txt
md5:8f22eb032dade8c475712471b3cdfa87
683.1 kB Download
DG_serum_2020.txt
md5:0d444698ff28159ed1c2b65ab282862b
1.3 MB Download
LipidQuant_1_0_Code_neg_acetate.txt
md5:8020732b9047574207a9279a292c3d0b
24.4 kB Download
LipidQuant_1_0_Code_neg_formate.txt
md5:8020732b9047574207a9279a292c3d0b
24.4 kB Download
LipidQuant_1_0_Code_pos_serum.txt
md5:8020732b9047574207a9279a292c3d0b
24.4 kB Download
LipidQuant_1_0_Manuscript_210731.pdf
md5:35bb04ad5dae8de0fb0c3d131a330ad1
268.9 kB Download
LipidQuant_1_0_ReadMe_210731.pdf
md5:0397fb25c4daa1ce0b2cb1956a114769
2.7 MB Download
LipidQuant_1_0_Supplementary_210731.pdf
md5:9236d3cb346eb5839e0a8be082491eba
897.8 kB Download
LipidQuant_neg_acetate.xlsm
md5:78bc40c6313583d53fee0985ca3a40fc
89.6 MB Download
LipidQuant_neg_formate.xlsm
md5:f60b40f170848a4b56a4241b753bd932
89.6 MB Download
LipidQuant_pos_serum.xlsm
md5:a8490923ea7167b1c79d4ea143a54261
90.3 MB Download
MG_serum_2020.txt
md5:62c8737e347145350345480499aabccd
1.7 MB Download
PC_serum_2020.txt
md5:4a51049cb0b2189620e9ccbb97dd6acd
823.4 kB Download
SM_LPC_serum_2020.txt
md5:808681916f73db2cf155ae79ed708577
368.7 kB Download
TG_serum_2020.txt
md5:902dcf0fde511372ea7cdb9a123cc660
2.6 MB Download
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