Find chemical structure by exact mass (m/z).
Instant search in a database of known structures with exact mass less than 340 Da (about 35 million) created from PubChem compounds database.
Version history
2.0
2016-10-25
This app has been updated by Apple to display the Apple Watch app icon.
Database size increased to 35 million and 340 Da.
Note that the app size becomes about 4 GB.
1.2
2016-08-15
Added ability to share search result as a pdf.
1.1
2016-08-03
Database size increased to 2 million structures (up to 190 Da).
Great idea and simple, clean implementation. However, hits are only retrieved for whole numbers on my iPhone SE. This makes the app unusable in practice. I hope this issue will get fixed quickly.
ChemConnector,
Great use of the EPA CompTox Dashboard Chemistry Data
I am the project lead for the Chemistry Dashboard at the EPA and I am glad to see that the data that we released to the community as open data has been used in this way to produce this app. It will be very useful for mass spectrometrists just doing basic lookup of potential chemical structures in environmental media specifically. I look forward to seeing future enhancements!