This is a collection of theoretical m/z, CCS, and RT for 13 types of adducts of 20513 lipid species in 35 lipid classes
Here is a list of all classes and adducts in the collection:
- DG - Diradylglycerolipids
- MGDG - Monoglucosyldiacylglycerols
- DGDG - Diglucosyldiacylglycerols
- GlcADG - Glucuronosyldiacylglycerol
- TG - Triradylglycerolipids
- PA - Glycerophosphates
- PC - Glycerophosphocholines
- PE - Glycerophosphoethanolamines
- PG - Glycerophosphoglycerols
- PI - Glycerophosphoinositols
- PIP - Glycerophosphoinositol monophosphates
- PIP2 - Glycerophosphoinositol bis-phosphates
- PIP3 - Glycerophosphoinositol tris-phosphates
- PS - Glycerophosphoserines
- LysylPG - Lysylphosphatidylglycerol
- AlanylPG -
- AcylPG - Acylphosphatidylglycerol
- AcylPE -
- CL - Glycerophosphoglycerophosphoglycerols (Cardiolipins)
- LCL - Lysoglycerophosphoglycerophosphoglycerols
- LPA - Lysoglycerophosphates
- LPC - Lysophosphatidylcholine
- LPE - Lysoglycerophosphoethanolamines
- LPG - Lysoglycerophosphoglycerols
- LPI - Lysoglycerophosphoinositols
- LPS - Lysoglycerophosphoserines
- Cer - Ceramides
- HexCer - hexosylceramide
- GlcCer - Glycosphingolipids
- SM - Sphingomyelins
- GM1 -
- GD1 -
- GT1 -
- GQ1 -
- FA - Fatty Acid
- [M+NH4]+
- [M+Na]+
- [M+K]+
- [M-H]-
- [M+HCOO]-
- [M+CH3COO]-
- [M+Cl]-
- [M+H-H2O]+
- [M+H]+
- [M+2Na-H]+
- [M-2H]2-
- [M+2K]2+
- [M-3H]3-
You can find more information about lipydomics HERE
Make a CSV file containing information about your queries.
Then upload the CSV file below and click on "Make Queries" to view the results online
and click "Download Results" to download the entire results in one
excel file.
An example of the CSV file can be found below
**Make sure the header column names are as follows**
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| Name | Adduct | m/z | CCS | RT | Z |
|---|---|---|---|---|---|
| DG(53:12) | [M+Cl]- | 873.6164 | 305.6 | 0.06 | 1 |
| DG(53:12) | [M+H-H2O]+ | 821.6448 | 298.8 | 0.06 | 1 |
| DG(54:0) | [M+NH4]+ | 894.8853 | 331.1 | 0.27 | 1 |
| DG(54:0) | [M+Na]+ | 899.8407 | 324.8 | 0.27 | 1 |
| DG(54:0) | [M+K]+ | 915.8147 | 337.3 | 0.27 | 1 |
| DG(54:0) | [M-H]- | 875.8432 | 313.4 | 0.27 | 1 |
| DG(54:0) | [M+HCOO]- | 921.8486 | 322.5 | 0.27 | 1 |
| DG(54:0) | [M+CH3COO]- | 935.8643 | 325.9 | 0.27 | 1 |
| DG(54:0) | [M+Cl]- | 911.8198 | 317.4 | 0.27 | 1 |
| DG(54:0) | [M+H-H2O]+ | 859.8482 | 328.4 | 0.27 | 1 |