Is there online OpenData around mass spectrometry, and in particular EI (or other) mass spectra of organic molecules? I know of the NIST Chemistry WebBook, but do not believe that data can be redistributed.
Noel O'Boyle
[ Admin ]
From Tobias Kind:
If you talk about reference spectra with annotated structures. Few very few. In principle none, considering that there should be millions of datasets: These are services were you can download MS data for free:
1) http://csbdb.mpimp-golm.mpg.de
2) http://fiehnlab.ucdavis.edu:8080/m1
3) https://proteomecommons.org/data-browse.jsp
Many other useful services only allow online queries, they are free to use but you can not bulk download data. There are other small databases, for EI-MS and MS/MS. My library will be free after publications (CC-BY).
