Section 5 (lipid quantification from untargeted lipidomics datasets)

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capture_5 MS-DIAL OzFAD Skyline Lipid Data Analyzer (LDA) Lipostar 2.0 MZmine XCMS on-line
Adjustable feature detection Border adjustment is accepted in the GUI No No No No Yes Yes
Quantification by Lipid internal standards such as SPLASH Combination of direct infusion MS (sum composition level aggregate quantity) with DIA LC-OzID-MS (isomer ratio quantification). Isotopic labels, surrogate standards, etc — Peak area Peak area Maximal intensity
Normalization workflows Internal standard based (for relative intensity-based sample comparison), quality control sample’s profiles based (for LOWESS method), total ion count based (for relative intensity-based sample comparison) No Yes Example_text Single/multi standard, normalization factor, samples sum/average, quality control, LOESS By assigning features as internal standards No
Relative quantification Yes No No Yes Yes Yes Yes
Semi-absolute quantification Yes No No Yes Yes Yes Yes
Internal standards integration Yes Yes Yes Yes Yes Yes Yes
Calibration curve No No Yes Yes Yes No No