Library | LabRulez ICPMS

Isotope modeling routines applied to empirical formula prediction

Posters

| N/A | Shimadzu

LC/TOF, LC/MS, LC/MS/MS, LC/IT

Instrumentation

LC/TOF, LC/MS, LC/MS/MS, LC/IT

Manufacturer

Shimadzu

Industries

Investigation and Performance Evaluation of a Research Prototype Tool for CCS Prediction

Applications

| 2020 | Waters

Ion Mobility, LC/TOF, LC/HRMS, LC/MS, LC/MS/MS

Instrumentation

Ion Mobility, LC/TOF, LC/HRMS, LC/MS, LC/MS/MS

Manufacturer

Waters

Industries

Fragmentation Outcome Modelling: Prototype software for prediction of CID fragment ions for small molecule structures

Posters

| 2013 | Shimadzu

Software, LC/HRMS, LC/MS, LC/MS/MS

Instrumentation

Software, LC/HRMS, LC/MS, LC/MS/MS

Manufacturer

Shimadzu

Industries

Vision Air Local

Brochures and specifications

| 2022 | Metrohm

Software, NIR Spectroscopy, UV–VIS spectrophotometry

Instrumentation

Software, NIR Spectroscopy, UV–VIS spectrophotometry

Manufacturer

Metrohm

Industries

Reflectance Measurements of an Apple and Pear, and Prediction of Elapsed Days by Multivariate Analysis

Applications

| 2013 | Shimadzu

NIR Spectroscopy, UV–VIS spectrophotometry

Instrumentation

NIR Spectroscopy, UV–VIS spectrophotometry

Manufacturer

Shimadzu

Industries

Food & Agriculture

Structural Prediction of Impurities in Drugs using MSn Data

Applications

| N/A | Shimadzu

LC/TOF, LC/MS, LC/MS/MS, LC/IT

Instrumentation

LC/TOF, LC/MS, LC/MS/MS, LC/IT

Manufacturer

Shimadzu

Industries

Pharma & Biopharma

Integration of Metabolism Prediction into the Metabolite Identification Workflow

Technical notes

| 2013 | Waters

Software

Instrumentation

Software

Manufacturer

Waters

Industries

Metabolomics

Spectrum Library Retention Time Prediction Based on Endogenous Peptide Standards

Posters

| 2014 | Thermo Fisher Scientific (MSACL)

Software, LC/HRMS, LC/MS, LC/MS/MS, LC/Orbitrap

Instrumentation

Software, LC/HRMS, LC/MS, LC/MS/MS, LC/Orbitrap

Manufacturer

Thermo Fisher Scientific

Industries

Proteomics

Automated compound identification using product ion scanning with accurate mass measurement and compound database searching for non-targeted metabolomics

Posters

| 2013 | Shimadzu

LC/TOF, LC/MS, LC/MS/MS, LC/IT

Instrumentation

LC/TOF, LC/MS, LC/MS/MS, LC/IT

Manufacturer

Shimadzu

Industries

Metabolomics

Software-Assisted Identification of Metabolites

Others

| 2010 | Agilent Technologies

Software, LC/TOF, LC/HRMS, LC/MS, LC/MS/MS

Instrumentation

Software, LC/TOF, LC/HRMS, LC/MS, LC/MS/MS

Manufacturer

Agilent Technologies

Industries

Pharma & Biopharma

Isotope modeling routines applied to empirical formula prediction

Investigation and Performance Evaluation of a Research Prototype Tool for CCS Prediction

Fragmentation Outcome Modelling: Prototype software for prediction of CID fragment ions for small molecule structures

Vision Air Local

Reflectance Measurements of an Apple and Pear, and Prediction of Elapsed Days by Multivariate Analysis

Structural Prediction of Impurities in Drugs using MSn Data

Integration of Metabolism Prediction into the Metabolite Identification Workflow

Spectrum Library Retention Time Prediction Based on Endogenous Peptide Standards

Automated compound identification using product ion scanning with accurate mass measurement and compound database searching for non-targeted metabolomics

Software-Assisted Identification of Metabolites

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