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About
SnaPeaks
Development Background
Overcome the lack of data on mass spectrometry for natural products
MS/MS Spectral Database of Natural Products
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Technology Status
- The database of natural products has already been built and contains about 300,000 natural product information, but it only has information on the molecular structure and origin of natural products.
- There is very little MS/MS mass spectrometry data for natural products.
- There are very few data on the physical properties and physiological activity of natural products.
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Current Issues
- Analyzing the unknown extracts of a natural substances through a mass spectrometer is limited due to lack of MS/MS spectral library.
- It is difficult to analyze physical properties and physiological activity without knowing what the active ingredients of potent natural products are.
- After all, there are many difficulties in commercializing active components by extracting natural products.
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Development Goals
- Get tandem mass spectrometry (MS/MS) data for natural products.
- Identify the active components from the database that contains the tandem mass spectrometry (MS/MS) library.
Product Overview
Product Name :
SnaPeaks
Detailed Product Features
- Search MS/MS spectrum using chemical name, formula, or chemical identifier.
- Analyze the structure and characteristic information of active ingredients with spectral data obtaining from a mass spectrometer.
User's Data
- Raw data from instruments
- Centroid data
- Fragment ion list
Universal
Interface
- Converting data formats
Search / Analysis /
Prediction System
- MS isotope pattern recognition
- Fragment ion pattern recognition
- Integrated search datebase
- Fragment ion database obtained in the experiment
- Indexer
Generate
Data and Info
- Identification of matching compounds
- Physicochemical properties
- Physiological activities available
Product Applications
Identify the active components of natural products
- Areas where secondary metabolite analysis of natural products can be applied;
- You can identify the active components of natural products used in various industries and confirm property information.
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By providing medicinal herbs information containing active ingredients, you can broaden therange of natural products to be extracted.
Product Features
Experience search system and MS/MS libraries based on high-end mass spectrometer
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Secondary metabolite fragment ion DB
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Development of MS/MS search algorithm and commercialization
Technology to analyze the components of natural extracts
- Standard samples were measured with a high resolution mass spectrometer.
- Includes MS/MS spectra in the library obtained at various energy levels.
- Verified through the chemical structures and AI algorithms.
Library and database to identify the components
- Built and expanded MS/MS spectral libraries based on Electrospray Ionization (ESI) for natural products.
- Explored the vast MS/MS spectrum obtained from three different instruments.
- Supports Supports various file formats of user measurement data for convenience.
Improved UI & UX
- Built and expanded MS/MS spectral libraries based on Electrospray Ionization (ESI) for natural products.
- Explored the vast MS/MS spectrum obtained from three different instruments.
- Supports Supports various file formats of user measurement data for convenience.
Product Specification
More extensive data and better search performance
| Number of natural compounds | 2,600+ ea |
|---|---|
| Number of fragment ion | 70,000+ ea |
| Applicable MS equipment | More than 6 equipments |
| Number of energy referenced for pattern recognition | 3 ea |
| Speed of search engine | 17,000 spectra/sec |
| Performance of search engine* | 97% |
|---|---|
| Instrument Type | TripleTOF / Q-TOF / Orbitrap |
| Ionization method | ElectroSpray Ionization (ESI) |
| Fragmentation Method |
Collision Induced Dissociation (CID) Higher Energy Collisional Dissociation (HCD) |
| Adduct Ion | [M+H]+ / [M+Na]+ |
* Performance evaluation on search engine is based on MassBank method.
Accuracy = (True positive + True negative) / (True positive + True negative + False positive + False negative)
It is considered positive that the target compound is within the top 10 of the matching compounds.