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Whem I correct natural abundance, my data include C13 and N15 meantime, #15

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nyj123 opened this issue Oct 14, 2020 · 2 comments
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@nyj123
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nyj123 commented Oct 14, 2020

for example
this is my raw data
image

and I have read your paper[Metabolite Spectral Accuracy on Orbitraps] ,but I still may not solve two isotopes meantimes.
Isotope: [13C5, 15N2]-glutamine
Should I change the correction matrix and purity matrix both,and if I can know the details of labling like the picture following,
image
do I need to extend the correction matrix? Or just integrate the data to the form like(M+0, M+1,M+2......M+n)?

I sincerely look forward to your reply,Thanks a lot!

@XiaoyangSu
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AccuCor does not support the data with more than one labeled isotope.
You need to construct a joint matrix of C and N as the tracer elements and a joint matrix for the isotope purity correction.
Depending on the molecular mass of the metabolite and the resolution, the joint matrix might be ill-conditioned. This is why the correction of dual tracer data is tricky.

@nyj123
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nyj123 commented Oct 15, 2020

Thanks very much.I will discuss this in our lab.

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