getCSID: Retrieve the Chemspider ID for a given compound
In RMassBank: Workflow to process tandem MS files and build MassBank records
Description
Usage
Arguments
Value
Author(s)
Examples
Description
Given an InChIKey, this function queries the chemspider web API to retrieve
the Chemspider ID of he compound with that InChIkey.
Usage
1
getCSID(query)
Arguments
query
The InChIKey of the compound
Value
Returns the chemspide
Author(s)
Michele Stravs, Eawag <stravsmi@eawag.ch>
Erik Mueller, UFZ <erik.mueller@ufz.de>
Examples
1
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3
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## Not run:
# Return all CAS registry numbers stored for benzene.
data <- getCtsRecord("UHOVQNZJYSORNB-UHFFFAOYSA-N")
cas <- CTS.externalIdSubset(data, "CAS")
## End(Not run)
RMassBank documentation built on Nov. 8, 2020, 6:06 p.m.
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Description Usage Arguments Value Author(s) Examples
Description
Given an InChIKey, this function queries the chemspider web API to retrieve the Chemspider ID of he compound with that InChIkey.
Usage
1 | getCSID(query)
|
Arguments
query |
The InChIKey of the compound |
Value
Returns the chemspide
Author(s)
Michele Stravs, Eawag <stravsmi@eawag.ch>
Erik Mueller, UFZ <erik.mueller@ufz.de>
Examples
1 2 3 4 5 6 | ## Not run:
# Return all CAS registry numbers stored for benzene.
data <- getCtsRecord("UHOVQNZJYSORNB-UHFFFAOYSA-N")
cas <- CTS.externalIdSubset(data, "CAS")
## End(Not run)
|
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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