msp2spectra: Example data for 'MetCirc': 'msp2spectra'
In tnaake/MetCirc: Navigating mass spectral similarity in high-resolution MS/MS metabolomics data metabolomics data
msp2spectra R Documentation
Example data for 'MetCirc': 'msp2spectra'
Description
'convertMsp2Spectra' contains the object 'msp2spectra'
that is a data frame in .MSP format, a typical format for MS/MS library
building. Each entry consists of the metabolite name (NAME), the precursor
mz (PRECURSORMZ), the retention time (RETENTIONTIME), number of peaks
(Num Peaks), together with fragments and their
intensity values. In the example used in the function
'convertMsp2Spectra' the 'data.frame' 'msp2spectra'
is used to construct an object of class 'MSpectra'.
Format
'data.frame'
Value
'data.frame'
Author(s)
Thomas Naake, thomasnaake@googlemail.com
Source
http://prime.psc.riken.jp/Metabolomics_Software/MS-DIAL/, truncated
.MSP file of GNPS MS/MS Negative (contains 22 entries):
http://prime.psc.riken.jp/Metabolomics_Software/MS-DIAL/MSMS-GNPS-Curated-Neg.msp
tnaake/MetCirc documentation built on April 23, 2023, 8:56 a.m.
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| msp2spectra | R Documentation |
Example data for 'MetCirc': 'msp2spectra'
Description
'convertMsp2Spectra' contains the object 'msp2spectra' that is a data frame in .MSP format, a typical format for MS/MS library building. Each entry consists of the metabolite name (NAME), the precursor mz (PRECURSORMZ), the retention time (RETENTIONTIME), number of peaks (Num Peaks), together with fragments and their intensity values. In the example used in the function 'convertMsp2Spectra' the 'data.frame' 'msp2spectra' is used to construct an object of class 'MSpectra'.
Format
'data.frame'
Value
'data.frame'
Author(s)
Thomas Naake, thomasnaake@googlemail.com
Source
http://prime.psc.riken.jp/Metabolomics_Software/MS-DIAL/, truncated .MSP file of GNPS MS/MS Negative (contains 22 entries): http://prime.psc.riken.jp/Metabolomics_Software/MS-DIAL/MSMS-GNPS-Curated-Neg.msp
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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