MassSpecAPI


Click here for a complete list of operations.

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.

Test

To test the operation using the HTTP POST protocol, click the 'Invoke' button.
Parameter Value
csid:
calc3d:
token:

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: chemspider.com
Content-Type: text/xml; charset=utf-8
Content-Length: length
SOAPAction: "http://www.chemspider.com/GetRecordMol"

<?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>
    <GetRecordMol xmlns="http://www.chemspider.com/">
      <csid>string</csid>
      <calc3d>boolean</calc3d>
      <token>string</token>
    </GetRecordMol>
  </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>
    <GetRecordMolResponse xmlns="http://www.chemspider.com/">
      <GetRecordMolResult>string</GetRecordMolResult>
    </GetRecordMolResponse>
  </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: 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>
    <GetRecordMol xmlns="http://www.chemspider.com/">
      <csid>string</csid>
      <calc3d>boolean</calc3d>
      <token>string</token>
    </GetRecordMol>
  </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>
    <GetRecordMolResponse xmlns="http://www.chemspider.com/">
      <GetRecordMolResult>string</GetRecordMolResult>
    </GetRecordMolResponse>
  </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/GetRecordMol?csid=string&calc3d=string&token=string HTTP/1.1
Host: chemspider.com
HTTP/1.1 200 OK
Content-Type: text/xml; charset=utf-8
Content-Length: length

<?xml version="1.0" encoding="utf-8"?>
<string xmlns="http://www.chemspider.com/">string</string>

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/GetRecordMol HTTP/1.1
Host: chemspider.com
Content-Type: application/x-www-form-urlencoded
Content-Length: length

csid=string&calc3d=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"?>
<string xmlns="http://www.chemspider.com/">string</string>