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Description

MassQL (PFAS Search)
Long Description

Search of three MassQL queries designed to identify PFAS in water samples from molecular network (task: 30b8a646f7bc49b5bf2afccfa5e58c33).

Task Tags PFAS MassQL
Workflow massql
Version SERVER:16.34;WORKFLOW:16.23
Result Display task View Latest Result Display
Status DONE
Task ID bf865dde8e744914a4eb7da693f05294
User Ometa_Flow_Demo

Task Results Links


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Networking Views (If GraphML Selected)

Downstream Analysis

Other Tasks Used in Analysis
View Prior Analysis Task - Molecular Networking PFAS

Workflow Task Parameters

Name Value
create_time 2025-02-27 11:40:37 PST-0800
extract Yes
input_graphml TASKLOCATION/30b8a646f7bc49b5bf2afccfa5e58c33/molecular_networking/network/network.graphml
input_spectra_folder TASKLOCATION/30b8a646f7bc49b5bf2afccfa5e58c33/molecular_networking/specs_ms.mgf
massql_query QUERY scaninfo(MS2DATA) where MS2PROD=(118.987 OR 168.987 OR 218.986):TOLERANCEMZ=0.05 ||| QUERY scaninfo(MS2DATA) where MS2PROD=X AND MS2PROD=X+49.997:TOLERANCEMZ=0.05 AND MS2PROD=68.995:TOLERANCEMZ=0.05 ||| QUERY scaninfo(MS2DATA) WHERE MS2PROD=79.9563:TOLERANCEMZ=0.05:INTENSITYPERCENT=10 AND MS2PROD=98.9552:TOLERANCEMZ=0.05:INTENSITYPERCENT=10
metadata_filename TASKLOCATION/30b8a646f7bc49b5bf2afccfa5e58c33/metadata/merged_metadata.tsv
task bf865dde8e744914a4eb7da693f05294
workflow_version SERVER:16.34;WORKFLOW:16.23
workflowname massql