- Type: URI Objectin [featureXML,consensusXML]featureXML or consensusXML file [featureXML,consensusXML]
- Type: URI Objectpositive_adducts [tsv]This file contains the list of potential positive adducts that will be looked for in the database. Edit the list if you wish to exclude/include adducts. By default CHEMISTRY/PositiveAdducts.tsv in OpenMS/share is used. [tsv]
- Type: URI Objectnegative_adducts [tsv]This file contains the list of potential negative adducts that will be looked for in the database. Edit the list if you wish to exclude/include adducts. By default CHEMISTRY/NegativeAdducts.tsv in OpenMS/share is used. [tsv]
- Type: URI Objectmapping [tsv]Database input file(s), containing three tab-separated columns of mass, formula, identifier. If 'mass' is 0, it is re-computed from the molecular sum formula. By default CHEMISTRY/HMDBMappingFile.tsv in OpenMS/share is used! If empty, the default will be used. [tsv]
- Type: URI Objectstruct [tsv]Database input file(s), containing four tab-separated columns of identifier, name, SMILES, INCHI.The identifier should match with mapping file. SMILES and INCHI are reported in the output, but not used otherwise. By default CHEMISTRY/HMDB2StructMapping.tsv in OpenMS/share is used! If empty, the default will be used. [tsv]
Node / Manipulator
AccurateMassSearch
Node details
Input ports
Output ports
- Type: URI Objectout [mzTab]mzTab file [mzTab]
- Type: URI Objectout_annotation [featureXML,consensusXML]A copy of the input file, annotated with matching hits from the database. [featureXML,consensusXML]
Extension
The AccurateMassSearch node is part of this extension:
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Related workflows & nodes
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