May be difficult. MS will give mol no.,FTIR will give functional group, UV, delta max, but needed to know C & H present but if you have expected compound, try merck index online.

god luck

Hello,

according to the very good answer (see Vabeiryureilai) , you must isolate the microbial secondary metabolite as pure compound. Why?

Details about isolation (temperature a.s.o.  ...) are needed.

- It must be stable  and remain stable during the purification.

- C,H,N  is needed  for UV-Vis, MS, FTIR and NMR  (H and C13)

- Answerers must be have more details (p.e. via  RG message if confidential) for a good answer.

-  How is it produced (details needed)

No elucidation without pure ans stable metabolite because you 'll produce another metabolite(s) if the metabolite " zero" is not stable.

Good luck

JRG

Hi, If you have data of HR MS (ESI + or ESI - for example), I think you can predict the exact MW (confirmation with some adducts), predict the molecular formula (by isotope pattern), if you have MS and MS MS , you can predict your compounds (by using some MS data base on line such as Metfrag, Metlin, MassBank or others; For confirmation I think you need have standard or isolating the compounds as described by Jean.

No No, it is just not possible at all. Both of these instrumental techniques will add to your analysis  qualitatively only . For the Quantitative thorough structural elucidations  / investigations  , you must   go to the basic organic chemistry instrumental methods. There are many of these , more you  make use of these techniques,    more closer & thorough will be the OUTCOME  . Dr Abid Aziz Ajaz

Complete structural identification of an unkown secondary metabolite can only be achieved using High Resolution 1D and 2D NMR..... and like JRG above, pointS out, the metabolite must be stable otherwise you will elucidate the structure of an artifact of the actual metabolite ...... NMR can then be followed by MS, UV and IR  as confirmatory techniques