Match pubchem spectra to experimental, e.g. CAMERA, spectra

[jmorim]

@Aariq If there isn't something already like this, I could work on it.

[stitam]

Thanks @jmorim for opening this discussion. What do you have in mind? Extracting spectra from pubchem pages? I don't think we can do that with webchem and I think it would be valuable. If I remember correcly the issue was that the pubchem page does not store the data itself but rather a pointer to some external resource, so we stopped there.

[jmorim]

You could reverse engineer it from the graphics math of the elements. It would be cumbersome but not impossible.
Or it looks like the info is stored in the url itself too.
https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=95.0485:999,105.0446:69,97.0281:24,