Interpreting High Resolution Mass Spectra
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Documentation for package ‘InterpretMSSpectrum’ version 1.3.3
Help Pages
| Adducts | Default adduct lists used by 'findMAIN'. |
| apci_spectrum | APCI spectrum |
| chemical_elements | List of chemical elements. |
| CountChemicalElements | CountChemicalElements. |
| esi_spectrum | ESI spectrum |
| findMAIN | findMAIN. |
| GenerateMetaboliteSQLiteDB | GenerateMetaboliteSQLiteDB. |
| GetGroupFactor | GetGroupFactor. |
| IMS_parallel | IMS_parallel. |
| InterpretMSSpectrum | Interpreting High-Res-MS spectra. |
| mScore | mScore. |
| neutral_losses_APCI | A data table defining typical neutral losses in GC-APCI-MS for silylated compounds. |
| neutral_losses_ESI | A data table defining neutral losses in LC-ESI-MS (positive mode). |
| OrbiMS1 | Orbitrap spectra |
| param.default | Default parameter list for 'InterpretMSSpectrum'. |
| PlotSpec | Plot Mass Spectrum. |
| sendToMSF | Exporting spectra to MSFinder. |
| sendToMSF.default | Exporting spectra to MSFinder. |
| sendToMSF.findMAIN | Exporting spectra to MSFinder. |