smiles2MonoMassForm: Convert SMILES code to monoisotopic mass and formula
In WMBEdmands/compMS2Miner: an automatable metabolite identification, visualization and data-sharing R package for high-resolution LC-MS datasets
Description
Usage
Arguments
Value
Description
Convert SMILES code to monoisotopic mass and formula
Usage
1
smiles2MonoMassForm(SMILES = NULL)
Arguments
SMILES
character vector of SMILES codes to convert
Value
a named numeric vector of same length as the SMILES input containing the
monoisotopic mass(es) and named using the formula(e).
WMBEdmands/compMS2Miner documentation built on May 9, 2019, 10:04 p.m.
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Description Usage Arguments Value
Description
Convert SMILES code to monoisotopic mass and formula
Usage
1 | smiles2MonoMassForm(SMILES = NULL)
|
Arguments
SMILES |
character vector of SMILES codes to convert |
Value
a named numeric vector of same length as the SMILES input containing the monoisotopic mass(es) and named using the formula(e).
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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