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Topics - m.rudolf

1
METLIN / bug in batch submission?
Hi,

I'm new to metlin and metabolomics so maybe I'm misunderstanding the meaning of batch submission vs. simple. What I have been doing was to submit a number of m/z values (a list of 87 numbers) in batch mode (positive mode) and I obtained a list of possible compounds and others where no match was found. When I submit the matches from batch mode to simple (same settings for adducts, H+ and Na+, 3ppm) the same compounds are identified - so far, so good. However if I do vice versa, and submit m/z values where the batch-mode did not find matches to simple model, the simple mode finds a number of matches with the same settings. What is the meaning of batch if not to submit multiple m/z values at one time? As an example 527.1578 finds no match in batch mode (even if I only submit this one value) but several sugars of formula C18H32O16 in simple. Furthermore, in case this is not a bug and I am just misunderstanding the meaning of "batch" - is there another way to submit a list of m/z values instead of typing them 1 by one and to obtain the results as in simple mode? Is there a maximum length for such lists? I'm using Firefox 17.0.1 and Windows 7.

thanks, best