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ADAP-KDB Spectral Knowledgebase

Public Libraries
Name Description Chromatography Size
Multiclass panel of exposure compounds | 2021-08-12 Zhu H, Chinthakindi S, Kannan K. A method for the analysis of 121 multi-class... None 127
DrugBank | 2021-08-12 None 11834
LipidBlast | 2021-08-17 Lipid analysis of polar lipids can be performed with tandem mass spectrometry... LC-MS/MS+ 33049
LipidBlast (Part 1) | 2021-08-17 Lipid analysis of polar lipids can be performed with tandem mass spectrometry... LC-MS/MS- 55078
LipidBlast (Part 2) | 2021-08-17 Lipid analysis of polar lipids can be performed with tandem mass spectrometry... LC-MS/MS- 90121
LipidBlast (Part 3) | 2021-08-17 Lipid analysis of polar lipids can be performed with tandem mass spectrometry... LC-MS/MS- 58645
LipidBlast (Part 4) | 2021-08-17 Lipid analysis of polar lipids can be performed with tandem mass spectrometry... LC-MS/MS- 105439
MS-DIAL GC-MS Library with Kovats RI | 2022-02-18 Included libraries: - Fiehn BinBase DB (Rtx5-Sil MS, predicted Kovats RI): 1... GC-MS 28220
MassBank Release 2022.06 | 2022-07-18 (GC-MS) Tobias Schulze, René Meier, Nikiforos Alygizakis, Emma Schymanski, Eric Bach,... GC-MS 1221
MassBank Release 2022.06 | 2022-07-18 (LC-MS/MS+) Tobias Schulze, René Meier, Nikiforos Alygizakis, Emma Schymanski, Eric Bach,... LC-MS/MS+ 43511
MassBank Release 2022.06 | 2022-07-18 (LC-MS/MS-) Tobias Schulze, René Meier, Nikiforos Alygizakis, Emma Schymanski, Eric Bach,... LC-MS/MS- 23786
GNPS Library | 2022-07-28 (LC-MS/MS+) The GNPS library contains natural product compounds from user contributions. LC-MS/MS+ 6115
GNPS Library | 2022-07-28 (LC-MS/MS-) The GNPS library contains natural product compounds from user contributions. LC-MS/MS- 916
HMDB (v5) Experimental GC-MS Spectra The Human Metabolome Database is a comprehensive, high-quality, freely access... GC-MS 9765
HMDB (v5) Experimental MS/MS Spectra The Human Metabolome Database is a comprehensive, high-quality, freely access... LC-MS/MS+ 24565
HMDB (v5) Experimental MS/MS Spectra The Human Metabolome Database is a comprehensive, high-quality, freely access... LC-MS/MS- 9218
Benchmark: 96 Standards V2 POS LC-MS/MS+ 2306