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. 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. -
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. -
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. -
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. -
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.