MassSpecAPI Web Service

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: chemsynthesis.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: 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>
    <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: 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"?>
<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: chemsynthesis.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>