LX Reference Herzog
MFQL used for lipid identification in E.coli
Materials and Methods
E. coli total lipid extract was purchased from Avanti Polar Lipids (Alabaster, AL, USA) and analyzed on the LTQ Orbitrap XL instrument in negative ion mode. A solution of the total lipid concentration of 2.5 μg/ml in 7.5 mM ammonium acetate in choloroform/methanol/2-propanol (1/2/4, v/v/v) was infused into the mass spectrometer by TriVersa robotic ion source using a chip with the diameter of spraying nozzles of 4.1 μm. To produce the spectra dataset, the extract was analyzed in several independent experiments: experiment I, eight acquisitions under the unit mass resolution (R) settings using ion trap (IT) to acquire both MS and MS/MS spectra; experiment II, six acquisitions with R = 7,500 for MS spectra (Orbitrap) and unit resolution for MS/MS spectra (IT); experiment III, four acquisitions with R = 30,000 for MS spectra (Orbitrap) and unit resolution for MS/MS spectra (IT); experiment IV, four acquisitions with R = 100,000 for MS spectra (Orbitrap) and unit resolution for MS/MS spectra (IT); experiment V, seven acquisitions with R = 100,000 for MS spectra (Orbitrap) and R = 15,000 for MS/MS spectra (Orbitrap). MS/MS experiments were performed using Pulsed Q Collision Induced Dissociation(PQD).
The below listed MFQL files can be applied for all mass spectrometric settings. The mass spectrometric settings are saved in the *ini file utilized for the import of a dataset.media:lpdX_benchmark.txt (IMPORTANT: for usage in LipidXplorer please rename file to lpdX_benchmark.ini)
The MFQL's
- Phosphatidylethanolamine in negative mode: PE_negative_FAS.mfql
- Lyso-Phosphatidylethanolamine in negative mode: LPE_negative_FAS.mfql
- Phosphatidylglycerol in negative mode: PG_negative_FAS.mfql
- Phosphatidylinositol in negative mode: PI_negative_FAS.mfql
- Phosphatidylserine in negative mode: PS_negative_FAS.mfql
- Phosphatic acid in negative mode: PA_negative_FAS.mfql
-> zip file: File:Mfql neg FAS Ecoli.zip
MFQL used for lipid identification in bovine heart
Materials and Methods
Total lipid extract of bovine heart (Avanti Polar Lipids) was analyzed in six technical replicates on a LTQ-Orbitrap XL mass spectrometer using a target resolution of 100,000 for MS spectra (Orbitrap) and unit resolution for MS/MS (IT) in negative ion mode. Six replicates were acquired, each consisting of 31 MS and 310 MS/MS spectra.
The MFQL's
- Phosphatidylethanolamine in negative mode: neg_bovine_heart_PE.mfql
- Lyso-Phosphatidylethanolamine in negative mode: neg_bovine_heart_LPE.mfql
- Phosphatidylethanolamine ether in negative mode: neg_bovine_heart_PEO.mfql
- Phosphatidylcholine in negative mode: neg_bovine_heart_PC.mfql
- Lyso-Phosphatidylcholine in negative mode: neg_bovine_heart_LPC.mfql
- Phosphatidylcholine ether in negative mode: neg_bovine_heart_PCO.mfql
- Phosphatic acid in negative mode: neg_bovine_heart_PA.mfql
- Lyso-Phosphatic acid in negative mode: neg_bovine_heart_LPA.mfql
- Phosphatidylglycerol in negative mode: neg_bovine_heart_PG.mfql
- Lyso-Phosphatidylglycerol in negative mode: neg_bovine_heart_LPG.mfql
- Phosphatidylinositol in negative mode: neg_bovine_heart_PI.mfql
- Lyso-Phosphatidylinositol in negative mode: neg_bovine_heart_LPI.mfql
- Sphingomylien in negative mode: neg_bovine_heart_LPI.mfql
- Ceramide in negative mode: neg_bovine_heart_DAG.mfql
- Diacylglycerol in negative mode: neg_bovine_heart_DAG.mfql
- Triacylglycerol in negative mode: neg_bovine_heart_TAG.mfql
- Cardiolipin in negative mode: neg_bovine_heart_CL.mfql
-> zip File: File:Neg bovine heart MFQL.zip