21
Example workflow: PFASs
Nontarget and suspect screening of organic compounds using HRMS
1
Preface
2
Introduction and concepts
3
Experimental design
4
Sample pretreatment for nontarget and suspect screening
5
Pre-processing HRMS data
6
Suspect screening
7
Mass defect plots
8
Retention time index and prediction
9
Molecular networks
10
Spectral libraries
11
Data post-processing
12
Conversion of raw data from HRMS vendor format to open format
13
MTM HRMS Library: GC-HRMS
14
MTM HRMS Library: LC-HRMS
15
GC-(LR)HRMS raw data preprocessing with MS-DIAL
16
LC-HRMS MSe raw data preprocessing with MS-DIAL
17
Ion mobility HRMS
18
A handbook on GC Q Exactive orbitrap use
19
Reproducible research using Docker containers and similar tools
20
Example workflow: indoor dust
21
Example workflow: PFASs
22
GC coupled with LRMS nontarget
References
21
Example workflow: PFASs
library
(DiagrammeR)
A walkthrough for PFAS analysis
Workflow for nontarget using XX
20
Example workflow: indoor dust
22
GC coupled with LRMS nontarget