MassSpecAPI
Click here for a complete list of operations.
GetExtendedCompoundInfo
Get extended record details by CSID. Security token is required.
Test
To test the operation using the HTTP POST protocol, click the 'Invoke' button.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: chemsynthesis.chemspider.com Content-Type: text/xml; charset=utf-8 Content-Length: length SOAPAction: "http://www.chemspider.com/GetExtendedCompoundInfo" <?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> <GetExtendedCompoundInfo xmlns="http://www.chemspider.com/"> <CSID>int</CSID> <token>string</token> </GetExtendedCompoundInfo> </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> <GetExtendedCompoundInfoResponse xmlns="http://www.chemspider.com/"> <GetExtendedCompoundInfoResult> <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> </GetExtendedCompoundInfoResult> </GetExtendedCompoundInfoResponse> </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: chemsynthesis.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> <GetExtendedCompoundInfo xmlns="http://www.chemspider.com/"> <CSID>int</CSID> <token>string</token> </GetExtendedCompoundInfo> </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> <GetExtendedCompoundInfoResponse xmlns="http://www.chemspider.com/"> <GetExtendedCompoundInfoResult> <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> </GetExtendedCompoundInfoResult> </GetExtendedCompoundInfoResponse> </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/GetExtendedCompoundInfo?CSID=string&token=string HTTP/1.1 Host: chemsynthesis.chemspider.com
HTTP/1.1 200 OK Content-Type: text/xml; charset=utf-8 Content-Length: length <?xml version="1.0" encoding="utf-8"?> <ExtendedCompoundInfo xmlns="http://www.chemspider.com/"> <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>
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/GetExtendedCompoundInfo HTTP/1.1 Host: chemsynthesis.chemspider.com Content-Type: application/x-www-form-urlencoded Content-Length: length CSID=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"?> <ExtendedCompoundInfo xmlns="http://www.chemspider.com/"> <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>