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Provide the following information and feel free to add more columns with important metadata
contact cbrungs1789@gmail.com
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Group
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Institution
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Contact person
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Contact email
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Public datasets need to be uploaded to MassIVE, MetaboLights, MetabolomicsWorkbench or similar open repositories
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Preferred SMILES or InChI - if not available, we will search databases with other information given: inchikey, compound name
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NO NEED TO FILL ALL PROPERTIES! They will be calculated from SMILES / InChI structure
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unique_sample_id can be extracted from multiple injections as the longest common subname: A1_positive.mzML and A1_negative.mzML would be A1_
Otherwise just provide the whole file name. Unique_sample_id should not start or end with a number as we will use a substring matching		Public datasets need to be uploaded to MassIVE, MetaboLights, MetabolomicsWorkbench or similar open repositories
Reactions in case samples underwent a reaction protocol from the next sheet
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unique_sample_iddataset_idrepositorycompound_namesmilesisomeric_smilesinchiinchikeyapplied_reaction_idapplied_reaction_name
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example_library_P01_A1_idMSV000092216MassIVELevodopaC1=CC(=C(C=C1CC(C(=O)O)N)O)OC1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)OInChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1
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