uses InChI's retrieved from a MassBank peaklist query to get compound information about those compounds via querying ChemSpider for information and displaying those results with image
org.embl.ebi.escience.scuflworkers.java.XMLOutputSplitter
org.embl.ebi.escience.scuflworkers.java.XMLInputSplitter
org.embl.ebi.escience.scuflworkers.java.XMLOutputSplitter
org.embl.ebi.escience.scuflworkers.java.XMLOutputSplitter
org.embl.ebi.escience.scuflworkers.java.XMLInputSplitter
org.embl.ebi.escience.scuflworkers.java.XMLInputSplitter
Get array of extended record details by an array of CSIDs. Security token is required to get access to this service.
http://www.chemspider.com/MassSpecAPI.asmx?WSDL
GetExtendedCompoundInfoArray
Get compound thumbnail in PNG format. Security token is required to get access to this service.
http://www.chemspider.com/Search.asmx?WSDL
GetCompoundThumbnail
Try to find whatever is entered. Return the list of found IDs. Security token is required to get access to this service.
http://www.chemspider.com/Search.asmx?WSDL
SimpleSearch
retrieval of InChI's according to peaklist query in MassBank DB -
later use of InChI's for further compound information from other databases
http://moby.ucalgary.ca/moby/MOBY-Central.pl
getInChIfromMassBankPeaklist
ipb-halle.de
0
0
Processor to parse the datatype ArrayString
http://moby.ucalgary.ca/moby/MOBY-Central.pl
ArrayString
result
Processor to parse the datatype ArrayString
xml input for Biomoby service - complete peaklist with m/z, intensity and tolerance values of both
example:
<?xml version="1.0" encoding="UTF-8"?>
<moby:MOBY xmlns:moby="http://www.biomoby.org/moby">
<moby:mobyContent>
<moby:mobyData moby:queryID="sip_1_">
<moby:Simple moby:articleName="mz">
<moby:ArrayFloat moby:id="" moby:namespace="">
<moby:ElementFloat moby:id="" moby:namespace="" moby:articleName="Element">
<moby:Float moby:id="" moby:namespace="" moby:articleName="Value">273.0</moby:Float>
</moby:ElementFloat>
<moby:ElementFloat moby:id="" moby:namespace="" moby:articleName="Element">
<moby:Float moby:id="" moby:namespace="" moby:articleName="Value">153.0</moby:Float>
</moby:ElementFloat>
</moby:ArrayFloat>
</moby:Simple>
<moby:Simple moby:articleName="int">
<moby:ArrayFloat moby:id="" moby:namespace="">
<moby:ElementFloat moby:id="" moby:namespace="" moby:articleName="Element">
<moby:Float moby:id="" moby:namespace="" moby:articleName="Value">10000.0</moby:Float>
</moby:ElementFloat>
<moby:ElementFloat moby:id="" moby:namespace="" moby:articleName="Element">
<moby:Float moby:id="" moby:namespace="" moby:articleName="Value">10000.0</moby:Float>
</moby:ElementFloat>
</moby:ArrayFloat>
</moby:Simple>
<moby:Parameter moby:articleName="tolerance_int">
<moby:Value>500</moby:Value>
</moby:Parameter>
<moby:Parameter moby:articleName="tolerance_mz">
<moby:Value>0.3</moby:Value>
</moby:Parameter>
</moby:mobyData>
</moby:mobyContent>
</moby:MOBY>
security token which is required to access ChemSpider services
get your own by registering at
http://www.chemspider.com
displays the resulting information about the found compounds
image/png=PNG
displays an image for each found compound displaying chemical structure