MassSpecAPI
Click here for a complete list of operations.
GetExtendedCompoundInfoArray
Get array of extended record details by an array of CSIDs. Security token is required.
Test
The test form is only available for methods with primitive types as parameters.SOAP 1.1
The following is a sample SOAP 1.1 request and response. The placeholders shown need to be replaced with actual values.
POST /MassSpecAPI.asmx HTTP/1.1 Host: www.chemspider.com Content-Type: text/xml; charset=utf-8 Content-Length: length SOAPAction: "http://www.chemspider.com/GetExtendedCompoundInfoArray" <?xml version="1.0" encoding="utf-8"?> <soap:Envelope xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:soap="http://schemas.xmlsoap.org/soap/envelope/"> <soap:Body> <GetExtendedCompoundInfoArray xmlns="http://www.chemspider.com/"> <CSIDs> <int>int</int> <int>int</int> </CSIDs> <token>string</token> </GetExtendedCompoundInfoArray> </soap:Body> </soap:Envelope>
HTTP/1.1 200 OK Content-Type: text/xml; charset=utf-8 Content-Length: length <?xml version="1.0" encoding="utf-8"?> <soap:Envelope xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:soap="http://schemas.xmlsoap.org/soap/envelope/"> <soap:Body> <GetExtendedCompoundInfoArrayResponse xmlns="http://www.chemspider.com/"> <GetExtendedCompoundInfoArrayResult> <ExtendedCompoundInfo> <CSID>int</CSID> <MF>string</MF> <SMILES>string</SMILES> <InChI>string</InChI> <InChIKey>string</InChIKey> <AverageMass>double</AverageMass> <MolecularWeight>double</MolecularWeight> <MonoisotopicMass>double</MonoisotopicMass> <NominalMass>double</NominalMass> <ALogP>double</ALogP> <XLogP>double</XLogP> <CommonName>string</CommonName> </ExtendedCompoundInfo> <ExtendedCompoundInfo> <CSID>int</CSID> <MF>string</MF> <SMILES>string</SMILES> <InChI>string</InChI> <InChIKey>string</InChIKey> <AverageMass>double</AverageMass> <MolecularWeight>double</MolecularWeight> <MonoisotopicMass>double</MonoisotopicMass> <NominalMass>double</NominalMass> <ALogP>double</ALogP> <XLogP>double</XLogP> <CommonName>string</CommonName> </ExtendedCompoundInfo> </GetExtendedCompoundInfoArrayResult> </GetExtendedCompoundInfoArrayResponse> </soap:Body> </soap:Envelope>
SOAP 1.2
The following is a sample SOAP 1.2 request and response. The placeholders shown need to be replaced with actual values.
POST /MassSpecAPI.asmx HTTP/1.1 Host: www.chemspider.com Content-Type: application/soap+xml; charset=utf-8 Content-Length: length <?xml version="1.0" encoding="utf-8"?> <soap12:Envelope xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:soap12="http://www.w3.org/2003/05/soap-envelope"> <soap12:Body> <GetExtendedCompoundInfoArray xmlns="http://www.chemspider.com/"> <CSIDs> <int>int</int> <int>int</int> </CSIDs> <token>string</token> </GetExtendedCompoundInfoArray> </soap12:Body> </soap12:Envelope>
HTTP/1.1 200 OK Content-Type: application/soap+xml; charset=utf-8 Content-Length: length <?xml version="1.0" encoding="utf-8"?> <soap12:Envelope xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:soap12="http://www.w3.org/2003/05/soap-envelope"> <soap12:Body> <GetExtendedCompoundInfoArrayResponse xmlns="http://www.chemspider.com/"> <GetExtendedCompoundInfoArrayResult> <ExtendedCompoundInfo> <CSID>int</CSID> <MF>string</MF> <SMILES>string</SMILES> <InChI>string</InChI> <InChIKey>string</InChIKey> <AverageMass>double</AverageMass> <MolecularWeight>double</MolecularWeight> <MonoisotopicMass>double</MonoisotopicMass> <NominalMass>double</NominalMass> <ALogP>double</ALogP> <XLogP>double</XLogP> <CommonName>string</CommonName> </ExtendedCompoundInfo> <ExtendedCompoundInfo> <CSID>int</CSID> <MF>string</MF> <SMILES>string</SMILES> <InChI>string</InChI> <InChIKey>string</InChIKey> <AverageMass>double</AverageMass> <MolecularWeight>double</MolecularWeight> <MonoisotopicMass>double</MonoisotopicMass> <NominalMass>double</NominalMass> <ALogP>double</ALogP> <XLogP>double</XLogP> <CommonName>string</CommonName> </ExtendedCompoundInfo> </GetExtendedCompoundInfoArrayResult> </GetExtendedCompoundInfoArrayResponse> </soap12:Body> </soap12:Envelope>
HTTP GET
The following is a sample HTTP GET request and response. The placeholders shown need to be replaced with actual values.
GET /MassSpecAPI.asmx/GetExtendedCompoundInfoArray?CSIDs=string&CSIDs=string&token=string HTTP/1.1 Host: www.chemspider.com
HTTP/1.1 200 OK Content-Type: text/xml; charset=utf-8 Content-Length: length <?xml version="1.0" encoding="utf-8"?> <ArrayOfExtendedCompoundInfo xmlns="http://www.chemspider.com/"> <ExtendedCompoundInfo> <CSID>int</CSID> <MF>string</MF> <SMILES>string</SMILES> <InChI>string</InChI> <InChIKey>string</InChIKey> <AverageMass>double</AverageMass> <MolecularWeight>double</MolecularWeight> <MonoisotopicMass>double</MonoisotopicMass> <NominalMass>double</NominalMass> <ALogP>double</ALogP> <XLogP>double</XLogP> <CommonName>string</CommonName> </ExtendedCompoundInfo> <ExtendedCompoundInfo> <CSID>int</CSID> <MF>string</MF> <SMILES>string</SMILES> <InChI>string</InChI> <InChIKey>string</InChIKey> <AverageMass>double</AverageMass> <MolecularWeight>double</MolecularWeight> <MonoisotopicMass>double</MonoisotopicMass> <NominalMass>double</NominalMass> <ALogP>double</ALogP> <XLogP>double</XLogP> <CommonName>string</CommonName> </ExtendedCompoundInfo> </ArrayOfExtendedCompoundInfo>
HTTP POST
The following is a sample HTTP POST request and response. The placeholders shown need to be replaced with actual values.
POST /MassSpecAPI.asmx/GetExtendedCompoundInfoArray HTTP/1.1 Host: www.chemspider.com Content-Type: application/x-www-form-urlencoded Content-Length: length CSIDs=string&CSIDs=string&token=string
HTTP/1.1 200 OK Content-Type: text/xml; charset=utf-8 Content-Length: length <?xml version="1.0" encoding="utf-8"?> <ArrayOfExtendedCompoundInfo xmlns="http://www.chemspider.com/"> <ExtendedCompoundInfo> <CSID>int</CSID> <MF>string</MF> <SMILES>string</SMILES> <InChI>string</InChI> <InChIKey>string</InChIKey> <AverageMass>double</AverageMass> <MolecularWeight>double</MolecularWeight> <MonoisotopicMass>double</MonoisotopicMass> <NominalMass>double</NominalMass> <ALogP>double</ALogP> <XLogP>double</XLogP> <CommonName>string</CommonName> </ExtendedCompoundInfo> <ExtendedCompoundInfo> <CSID>int</CSID> <MF>string</MF> <SMILES>string</SMILES> <InChI>string</InChI> <InChIKey>string</InChIKey> <AverageMass>double</AverageMass> <MolecularWeight>double</MolecularWeight> <MonoisotopicMass>double</MonoisotopicMass> <NominalMass>double</NominalMass> <ALogP>double</ALogP> <XLogP>double</XLogP> <CommonName>string</CommonName> </ExtendedCompoundInfo> </ArrayOfExtendedCompoundInfo>