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Messages - jjjvanderhooft

19
Compound identification / Re: A list of common neutral losses
I echo @Jan Stanstrup in his resources. Depending on your definition of 'common', you could deduce some 'common' losses from the Precursor-Product Frequency tables here: http://metabolomics.jp/wiki/Index:MassBank [derived from MassBank spectra].

FYI: In your table you do not differentiate between pos and neg mode; though some neutral losses might appear preferentially in one mode. Also, the column with the losses is called 'mass fragments', whereas I think you mean 'neutral losses'....(perhaps just copy paste from other table as there are some other columns present not relevant for the losses)

I think the 'raw data' is not owned by a journal, but processed data might be. Worth knowing a bit more about, but slightly off topic here I think?  ;)

Hope this helps!
20
Metabolomics & Nutrition Interest Group / Assessment of nutritional status
In literature, many scientists ask the same question, so you hit the right button here.
Urine can provide a good \'read-out\' of what humans have been eating and drinking; however, there are so many factors that can influence the urinary profile, that it is very difficult to connect the often complex mixture of food ingredients that are consumed with the even more complex urinary profile. That said, I think it is possible when you can relate the presence of a specific compound/compounds (whether by LC-MS or by NMR) in the urine with one or more specific metabolites in urine.