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GNPS USI2

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LCMS Viewer Options

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XIC Options

XIC m/z
XIC Formula
Tolerance (Da)
Tolerance (ppm)
Retention Time View/Integration Limits
MS2 Options
MS2 Identifier
TIC Options
Rendering Options
Advanced Panels


USI Scan Filtering Options
USI2 Scan Filtering Options
Feature Finding Options
Precursor PPM Tolerance
MS1 Noise Level
Min Peak Width (Minutes)
Max Peak Width (Minutes)
RT Tolerance (Minutes)
LCMS Overlay Options
Overlay UDI
Overlay m/z
Overlay RT
Overlay color
Overlay size
Overlay Label Column
Overlay Filter Column
Overlay Filter Value
Overlay Raw Tabular Data (if no UDI)
LCMS Extras Options
Extras - Metadata Text
Metadata Column
MassQL Query Options

Welcome to MassQL. Please read the full documentation. Queries here are meant to be simple and fast. If you want to do many files or complex queries, please use the GNPS Workflow!

MassQL
Data Exploration



Feature Finding Results

Example Exploration Dashboards
Basic Examples - LC/MS Metabolomics

LCMS Multiple m/z XIC for QC Files
LCMS Side By Side Visualization
LCMS XIC by Formula - QC Amitryptiline
LCMS auto zoomed by URL
LCMS auto zoomed by scan in USI

Various Vendor Examples - LC/MS Metabolomics

Thermo Q Exactive LCMS mzML
Thermo Q Exactive LCMS RAW
Thermo Orbitrap Elite LCMS with MS3
Thermo Lumos LCMS RAW
Sciex LCMS
Bruker LCMS
Bruker LCMS - PA14 rhlR
Waters LCMS
Agilent LCMS
Agilent LCMS CDF
Shimadzu LCMS

Basic Examples - LC/MS Proteomics

Thermo LCMS - Orbitrap Elite - Proteomics - Pandey Draft Proteome - mzML from MassIVE
Thermo LCMS - Orbitrap Velos - Proteomics - Pandey Draft Proteome - RAW from PRIDE via PX
Thermo LCMS - Q Exactive HF - Proteomics - TMT10Plex - RAW from MassIVE via PX
Thermo LCMS - Q Exactive - Proteomics - Deep Proteome - mzML from MassIVE
Thermo LCMS - Q Exactive - Proteomics - mzXML from MassIVE, imported from PRIDE
Sciex SWATH - Proteomics - mzML from MassIVE
LC/MS without MS1 data - from PRIDE

Different Data Sources Examples - LC/MS Metabolomics

LCMS from Metabolights
LCMS from Metabolomics Workbench Native
LCMS from Metabolomics Workbench Imported into GNPS
Thermo LCMS from GNPS Analysis Classical Molecular Networking Task
LCMS from Glycopost
LCMS from Zenodo

Basic Examples - GC/MS Metabolomics

Thermo GCMS
GCMS in CDF Format

Advanced Examples - LC/MS Metabolomics

Multiple Files to show comparison
Combined Pos/Neg Filtered Side by Side
LCMS with Feature Finding Overlay from FBMN
LCMS with Feature Finding Overlay from FBMN with Sizing of highlight
LCMS with MZMine2 Feature Finding Active
LCMS with MZMine2 Feature Finding Parameters Set
LCMS with SRM Targeted Analysis

Advanced Examples - MassQL Queries

LCMS with MassQL MS2 Highlights
LCMS with MassQL MS1 Highlights
LCMS with MassQL Siderophore
LCMS with MassQL Bromination


Data Exploration 2


Details Panel





XIC Integration
Please enter XIC values to view the XIC integration table





File Summaries
Contributors
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