Annotation - RASpicer/MetabolomicsTools GitHub Wiki

Software Functionality Instrument Data Type Approaches
ALEX Annotation MS/DI-MS/Orbitrap DI-MS Targeted,Lipidomics
CCPN Metabolomics Annotation NMR/1D NMR, NMR/2D NMR
BATMAN Annotation NMR/1H NMR
MetaboHunter Annotation NMR/1H NMR
SpinAssign Annotation NMR/2D 1H, 13C-HSQC NMR 1D NMR
MetaboMiner Annotation NMR/2D TOCSY NMR, NMR/2D HSQC NMR
COLMAR Annotation NMR/Covariance NMR
BioSMXpress Annotation
MetaQuant Annotation, Other Tools MS/GC-MS Targeted
CFM-ID Annotation/MS/Level 2a - Library Spectrum Match MS/LC-MS/LC-MS/MS
CSI:FingerID Annotation/MS/Level 2a - Library Spectrum Match MS/LC-MS/LC-MS/MS
FingerID Annotation/MS/Level 2a - Library Spectrum Match MS/LC-MS
Lipid-Pro Annotation/MS/Level 2a - Library Spectrum Match MS/LC-MS/LC-MS/MS Lipidomics
MAGMa Annotation/MS/Level 2a - Library Spectrum Match MS/LC-MS/LC-MS/MS, MS/LC-MS/LC-MS^n
MetFrag Annotation/MS/Level 2a - Library Spectrum Match MS/MSn
MS2Analyzer Annotation/MS/Level 2a - Library Spectrum Match MS/LC-MS/LC-MS/MS Untargeted
MyCompoundID Annotation/MS/Level 2a - Library Spectrum Match MS
MS-LAMP Annotation/MS/Level 3 - Tentative Candidates MS Lipidomics
VaLID Annotation/MS/Level 3 - Tentative Candidates MS Lipidomics
FragPred Annotation/MS/Level 3 - Tentative Candidates MS/LC-MS Targeted
Metabolome Searcher Annotation/MS/Level 3 - Tentative Candidates MS/LC-MS Untargeted
MetaboSearch Annotation/MS/Level 3 - Tentative Candidates MS/LC-MS Untargeted
mzOS Annotation/MS/Level 3 - Tentative Candidates MS/LC-MS Untargeted
ProbMetab Annotation/MS/Level 3 - Tentative Candidates MS/LC-MS
MetFamily Annotation/MS/Level 3 - Tentative Candidates MS/LC-MS/LC-MS/MS Untargeted
MSFINDER Annotation/MS/Level 3 - Tentative Candidates MS/LC-MS/LC-MS/MS Untargeted
PUTMEDID-LCMS Annotation/MS/Level 3 - Tentative Candidates MS/LC-MS/UPLC-MS
MetFusion Annotation/MS/Level 3 - Tentative Candidates MS/MSn
MI-PACK Annotation/MS/Level 3 - Tentative Candidates
Rdisop Annotation/MS/Level 4 - Unequivocal Molecular Formula MS/FT-ICR-MS, MS/QTOF-MS
MetiTree Annotation/MS/Level 4 - Unequivocal Molecular Formula MS/LC-MS
AStream Annotation/MS/Level 4 - Unequivocal Molecular Formula MS/LC-MS Untargeted
CAMERA Annotation/MS/Level 4 - Unequivocal Molecular Formula MS/LC-MS Untargeted
HR3 Annotation/MS/Level 4 - Unequivocal Molecular Formula MS/LC-MS
MolFind Annotation/MS/Level 4 - Unequivocal Molecular Formula MS/LC-MS/HPLC-MS
MZedDB Annotation/MS/Level 4 - Unequivocal Molecular Formula MS/LC-MS/LC-ESI-MS Untargeted
SIRIUS Annotation/MS/Level 4 - Unequivocal Molecular Formula MS/MSn
LipidXplorer Preprocessing, Annotation MS/DI-MS/DI-MS/MS Lipidomics
MSeasy Preprocessing, Annotation MS/GC-MS
eRah Preprocessing, Annotation MS/GC-MS/GC-TOF/MS, MS/GC-MS/GC-qTOF/MS
MMSAT Preprocessing, Annotation MS/GC/MS/GC-MS SRMMS/LC-MS/LC-MS SRM Targeted
EasyLCMS Preprocessing, Annotation MS/LC-MS Targeted
LIMSA Preprocessing, Annotation MS/LC-MSMS/DI-MS/DI-MS/MS Lipidomics
Bayesil Preprocessing, Annotation NMR/1H NMR
mzMatch Preprocessing, Annotation/MS/Level 3 - Tentative Candidates MS/LC-MS Untargeted
LipidQA Preprocessing, Post-processing, Annotation MS/DI-M/DI-MS/MS Lipidomics