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PREMIER Biosoft
Accelerating Research in Life Sciences
A High Throughput Lipid Characterization Tool
using SONAR Data
Major Features

Database containing 40,298 lipid structures and
15,09,305 structure-specific in-silico MS/MS
characteristic ions.

Load raw data from native files (.raw) for Triple
Quadrupole, and SONAR workflows.

Data processing – peak detection, peak picking
– for LC-, SFC- SONAR workflows.
Major Features

Visualize raw data, and processed data – TIC, spectra,
XIC of detected compound in retention time scale, XIC
of compound in quadrupole positions (bin) scale, XICs
overlay of precursor ion m/z, and its fragment ions in
quadrupole positions (bin) scale.

High throughput lipid structural identification using
exact mass, and product ions from SONAR workflows.

Automated annotation of MS/MS spectra with IDed
lipids, and their fragments.
Create a New Project
1. File > New > Project
Create a New Project
2. Enter a project name
3. Click Create
Import Data from Native as well as Standard Data Files
2. Choose the type of file
1. File > Open > Peaklist Data > Waters Data File > Waters (DIA) > SONAR (.raw)
Use the Shortcut to Import Waters Native File as Shown Below
1. Select Waters native file shortcut icon
Use the Shortcut to Import Waters Native File as Shown Below
1. Select Waters native file shortcut icon
2. Select the file(s)
3. Click Open
Specify Range
1. Select Profile Data
2. Press OK
Retrieving Selected Scan Number Information
The Selected Files/Scans can be Viewed from the Project Management
Panel Along with Chromatogram and Mass Spectrum
Loaded Data
The Selected Files/Scans can be Viewed from the Project Management
Panel Along with Chromatogram and Mass Spectrum
Tabular View
Chromatogram view
Loaded
data
selected
Select row
Spectrum View
Search Results/ Mass Annotation
& Lipid information
are not applicable for DIA data
Chromatogram and Mass Spectrum Zoom Options
1. Pinned Chromatogram view
Chromatogram and Mass Spectrum Zoom Options
2. Select settings for zooming
3. Click OK
Chromatogram and Mass Spectrum Zoom Options
Selecting Chromatogram area for zoom
Chromatogram and Mass Spectrum Zoom Options
Pinned Spectrum View
Chromatogram and Mass Spectrum Zoom Options
2. Select settings for zooming
3. Click OK
Chromatogram and Mass Spectrum Zoom Options
Selecting Spectrum area for zoom
Peak Detection and Picking
1. Analyze > DIA Peak Detection > RT + Quad m/z
2. Select Profiles
3. Select Template
(UPLC SONAR
Lipidomic)
4. Select Settings
Peak Detection and Picking
1. RT Peaks
Peak Detection and Picking
2. Precursor Ions
Peak Detection and Picking
3. Product Ions
4. Press OK
Peak Detection and Picking
5. Select OK
Peak Detection and Picking
CID's are Detected and Displayed under LC-MS and MS/MS Data Node
High Throughput Lipid Search
1. Go to Analyze > LC-MS Pre-processing > High Throughput Lipid Search
3. Select MS/MS Data option to perform HTP
search only for MS/MS data
2. Specify Range
4. Click OK
Specify HTP Search Parameters
2. Specify Search Parameters
1. Select profiles
5. Click Search
4. Click OK
3. Specify Filter Lipids
High Throughput Lipid Search
5. Click OK
Check HTP Status and Load Results
A high throughput search ID number is generated
HTP ID
Check HTP Status and Load Results
Click this button to check HTP search status
Check HTP Status and Load Results
HTP search status-Pending
Check HTP Status and Load Results
HTP search status-Completed
Check HTP Status and Load Results
Load HTP Results
Check HTP Status and Load Results
Search results are displayed as shown below
Search Results are displayed here
Mass Spectrum Annotation
Sorting by m/z value
Mass Spectrum Annotation
Mass Spectrum Annotation
Mass Spectrum Annotation
Mass Spectrum Annotation
Mass Spectrum Annotation
Mass Spectrum Annotation
Mass Spectrum Annotation
Mass Spectrum Annotation
Mass Spectrum Annotation
Mass Spectrum Annotation
Mass Spectrum Annotation
Mass Spectrum Annotation
Mass Spectrum Annotation
Generate High Throughput Report
2. Select Profiles
1. File > Generate High Throughput Report
3. Click OK
4. Specify MS/MS Search Parameters
5. Specify the sorting options for organizing results in report
6. Specify the lipid information to be exported in report
7. Select output file type
8. Click OK
Results Exported into MS Excel File