MassSpecAPI
Please send all feedback to development-at-chemspider-dot-com
NOTE: Some operations require a "Security Token". To obtain a token please complete the registration process. Security Token is listed at Profile page.The following operations are supported. For a formal definition, please review the Service Description.
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GetCompressedRecordsSdf
Returns gzip'ed SDF containing records found by asynchronous search operation. A maximum of 10000 records can be fetched per request. Security token with 'Service Subscriber' role is required. -
GetDatabases
Get the list of datasources in ChemSpider. -
GetExtendedCompoundInfo
Get extended record details by CSID. Security token is required. -
GetExtendedCompoundInfoArray
Get array of extended record details by an array of CSIDs. Security token is required. -
GetExtendedMolCompoundInfoArray
Get array of extended record details (including MOL) by an array of CSIDs. A maximum of 250 CSIDs can be fetched per request. Security token is required. -
GetFormulaArrayAsyncSearchResult
Returns the Molecular formulas and lists of CSIDs found by SearchByFormulaArrayAsyncOrdered operation. Security token is required. -
GetMassArrayAsyncSearchResult
Returns the list of CSIDs, Monoisotopic Masses and Mass Defects found by SearchByMassArrayAsyncOrdered operation. Security token is required. -
GetRecordMol
Returns ChemSpider record in MOL format or empty string in case of failure. cacl3d parameter specifies if 3D coordinates should be calculated before returning record data. Security token is required. -
GetRecordsSdf
Return SDF containing records found by asynchronous search operation. Security token with 'Service Subscriber' role is required. -
SearchByFormula
Search ChemSpider by molecular formula within specified datasources list. This operation is deprecated and will be removed soon - use SearchByFormulaAsync instead. -
SearchByFormula2
Search ChemSpider by molecular formula. -
SearchByFormulaArrayAsyncOrdered
Search ChemSpider by molecular formula array (100 max) within specified datasources list and order by either CSID, Molecular Weight, Reference Count, Data Source Count, Pub Med Count or RSC Count. Operation returns transaction ID which has to be used with GetAsyncSearchStatus() and GetFormulaArrayAsyncSearchResult() to retrieve results. Security token is required. -
SearchByFormulaAsync
Search ChemSpider by molecular formula within specified datasources list. Operation returns transaction ID which has to be used with GetAsyncSearchStatus() and GetAsyncSearchResult() to retrieve results. Security token is required. -
SearchByFormulaAsyncOrdered
Search ChemSpider by molecular formula within specified datasources list and order by either CSID, Molecular Weight, Reference Count, Data Source Count, Pub Med Count or RSC Count. Operation returns transaction ID which has to be used with GetAsyncSearchStatus() and GetAsyncSearchResult() to retrieve results. Security token is required. -
SearchByMass
Search ChemSpider by mass +/- range within specified datasources list. This operation is deprecated and will be removed soon - use SearchByMassAsync instead. -
SearchByMass2
Search ChemSpider by mass +/- range. -
SearchByMassArrayAsyncOrdered
Search ChemSpider by an array (100 max) of mass +/- range within specified datasources list and order by either Mass Defect, CSID, Molecular Weight, Reference Count, Data Source Count, Pub Med Count or RSC Count. Operation returns transaction ID which has to be used with GetAsyncSearchStatus() and GetMassArrayAsyncSearchResult() to retrieve results. Security token is required. -
SearchByMassAsync
Search ChemSpider by mass +/- range within specified datasources list. Operation returns transaction ID which has to be used with GetAsyncSearchStatus() and GetAsyncSearchResult() to retrieve results. Security token is required. -
SearchByMassAsyncOrdered
Search ChemSpider by mass +/- range within specified datasources list and order by either CSID, Mass Defect, Molecular Weight, Reference Count, Data Source Count, Pub Med Count or RSC Count. Operation returns transaction ID which has to be used with GetAsyncSearchStatus() and GetAsyncSearchResult() to retrieve results. Security token is required.