Thanks for being patient (or not!).
I finally got two of our senior analytical chemists to look at this. Apparently my previous email to them in early October was eaten by The Black Maw of Infinite Nothingness.
As Sasha Shulgin used to say:
"A mass spectrum by itself is insufficient to reliably differentiate and identify substances. "
The use of multiple cross-over technologies and separatory functions such chromatographic methods along with MS make it possible to narrow down the likelihood of overlapping identifications. Without a published GC or LC elution time for the given isobaric / regiosomeric chemicals,
One of our experts who works analyzing the most-difficult-to-identify chemicals for the UK's customs and other police stuff (as well as being an academic researcher and long time friend of erowid) said that your questions are great and this is a well known problem in the field.
In order to confirm that they look the same in a GC/MC or LC/MS as the 3,4-MDMA, we'd need actual verified standards of each of the drug to run parallel through our system.
However, if not all those chemicals are available from certified labs, then someone could contact the author (yes it was a long time ago) and ask if they have any of their material catalog around that they could send us 1mg of each so we can run them in our equipment to build the library.
Our team's main guess is that either the GC or the IR will make it very obvious it's not the same chemical.
So, onwards!
earth