Compound Search

Database for Chemical Industry

 

Ambient ionization techniques like Thermal Desorption and Pyrolysis Direct Analysis in Real Time Mass Spectrometry (TDP-DART®-MS) enable rapid analysis of industrial materials without pretreatment. (i.e. additives or base materials). However, it is not easy to analyze the mass spectrum.

 

  • This database allows searching specialized compounds in the chemical industry, unlike searching on the internet.
  • This database can be used for analysis data of direct probe, ASAP, LC/MS (ESI, APCI).
  • The original database can be created by registering your own data.

Data: About 1600 compounds
Contents: Antioxidants, UV absorbers, plasticizers, fire retardants, stabilizers
Items: Name, chemical formula, CAS No., ChemSpider ID, application
*Tested on Windows 10

 

 

How to use Compound Search: Additive Analysis Contained in Plastics

Sample: Polylactic acid resin
Method: 0.5 mm2 sample was heated from RT to 600° Cat 100°C/min, using ionRocket combined with DART®

 

  1. Obtain elemental composition from the mass spectrum obtained by the mass spectometer software.
  2. Fill in the observed m/z value into the Compound Search.
  3. Press the Search button.
  4. From the search results, confirm that the compound that has the same elemental composition with step 1 is a compound of interest.
  5. The database allows you to connect directly to ChemSpider, so the chemical formula can also be confirmed.

 

✓ Compound Search allows direct link to ChemSpider, so user can check the chemical structure.
✓ Compound Search does not link with the mass spectometer.
✓ Application cells shows a product name (e.g. Irganox1010, Irgafos 168…) and application (e.g. plasticizer, antioxidant, …)