Section 4 (lipid identification from untargeted lipidomics datasets – HRAM MS, DDA, DIA);
Back* NA – not applicable
|
Lipid Data Analyzer (LDA) | LipidFinder | MS-DIAL | XCMS online | LipidHunter2 | LipidXplorer | Lipostar 2.0 | MZmine | LPP Tiger |
|---|---|---|---|---|---|---|---|---|---|
| Shotgun MS/MS | no | no | no | no | yes | yes | no | yes | yes |
| LC-MS(MS) | LC-MS(MS) | LC-MS | LC-MS(MS) | LC-MS | LC-MS(MS) | no | LC-MS(MS) | LC-MS(MS) | LC-MS(MS) |
| MS1 | yes | yes | yes | yes | no | no | yes | yes | no |
| MS2 DDA | yes | no | yes | no | yes | yes | yes | yes | yes |
| MS2 DIA | no | no |
yes AIF/SWATH |
no | no | no |
yes AIF/SWATH |
no | no |
|
Ion mobility CCS annotation |
no | no |
yes yes |
no | no | no |
yes no |
no | no |
|
Oxidized lipids Oxidized lipid coverage |
yes 4/8 |
no |
yes GPL |
no | no | no |
yes 8/8 |
no |
yes GPL |
| Spectra matching based ID | no | NA | yes | NA | no | no | yes | yes | yes |
| Decision rules based ID | yes | NA | yes | NA | yes | yes | yes | yes | yes |
| Spectra annotation | yes | NA | yes | NA | yes | no | yes | yes | yes |
| Support multiple adducts | yes | yes | yes | yes | yes | yes | yes | yes | no |
| Correction for in source fragmentation | no | yes | yes | no | no | no | yes | no | no |
| Batch processing | yes | yes | yes | yes | yes | yes | yes | yes | yes |
| Input format | .raw(Waters, Thermo); .wiff.scan(SCIEX); .wiff(SCIEX); .d(Bruker, Agilent); mzXML,; mzML | Excel; TSV; CSV | .raw(Waters, Thermo); .wiff2(SCIEX);.wiff(SCIEX);.d(Bruker, Agilent); ibf;abf; netCDF; mzML | .wiff.scan(SCIEX); .wiff(SCIEX);CDF; netCDF; mzData.XML; mzData; mzXML | mzML | .raw(Thermo); mzXML; mzML | d(Agilent, Bruker); .lcd(Shimadzu);.raw(Waters, Thermo);.wiff(SCIEX) | .raw(Waters,Thermo);.tdf(Bruker);netCDF; mzData; mzXML; imzML; mzML | mzML |
| Output formats | rdb; mzTab-M; excel; TSV | PDF; Excel; CSV | TSV | HTML; PDF; Excel | HTML; Excel | mzTab; Excel | Word; CSV | SIRIUS; GNPS; XML; SQL; mzTab, MetaboAnalyst, CSV | HTML; Excel |