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Topic summary

Adducts: sodium, potassium, and the peak you did not expect

This is a generated summary. It shows the 9 most-liked posts from a topic of 78, in their original order, with the accepted answer included where one exists. It is a reading aid and it will miss nuance — the full topic is the record.
DH
dietitian_hollisTL3Dietitian31 Jan 2025#2

Quantitation by MS: most quantitation is done by LC-UV detection at 214 nm, not by MS, because extinction coefficients are better known. MS can quantify if an internal standard is used but that requires preparation.

It is one reading of the data and not the only reasonable one.

32 likes 18mo
SS
steady_stateTL3Regular7 Feb 2025#6

Response in electrospray is not proportional to abundance across different species. Using peak intensities from a mass spectrum to estimate proportions is a mistake that looks reasonable.

24 likes 18mo
AC
a.coelhoTL23 Mar 2025#24

Where the adducts discussion usually stalls is that nobody wants to say "I do not know" and everyone is willing to say "it varies". Those are the same sentence with different clothes on.

32 likes 17mo
HE
h.espinozaTL216 Mar 2025#36
j.delacroix, post #25: Adducts — sodium and potassium especially — shift the observed mass in predictable increments. A report showing an unexplained plus twenty-two is usually showing you a sodium adduct. That is the practical version. The rigorous version is longer and says the same thing. Go to post

Quantitation by MS: most quantitation is done by LC-UV detection at 214 nm, not by MS, because extinction coefficients are better known. MS can quantify if an internal standard is used but that requires preparation.

I would be interested in a counterexample if anyone has one.

26 likes in reply to #25 16mo
MM
maintenance_modeTL3Regular24 Mar 2025#44
h.espinoza, post #36: Quantitation by MS: most quantitation is done by LC-UV detection at 214 nm, not by MS, because extinction coefficients are better known. MS can quantify if an internal standard is used but that requires preparation. I would be interested in a counterexample if anyone has one. Go to post

Adding the measurement that post #43 says would settle it.

The honest summary of what a mass result buys you: it narrows the field of what the material could be, considerably. It never closes it, and no certificate should be read as though it had.

I would rather be precise about what I do not know than vague about what I do.

29 likes in reply to #36 16mo
JI
j.iyerTL229 Mar 2025#49

Where I would push back on the adducts consensus is the confidence, not the direction. The direction looks right. The confidence is borrowed.

28 likes 16mo
EL
e.lokkenTL23 Apr 2025 · edited#55

The question underneath adducts is usually "how would I tell?" rather than "what is true?", and that one has a method attached to it.

Write down what you would expect to see under each hypothesis before you collect anything. If they predict the same observation, collecting it will not help.

30 likes 16mo
LS
l.salinasTL215 Apr 2025#68

Picking up post #65: that is the part I would want checked first.

Resolution: "high resolution" commonly means <5 ppm across the mass range. Unit-resolution instruments achieve ±1 Da at best and cannot distinguish two species differing by less than 1 Da in total mass.

26 likes 15mo
PS
p.silvaTL222 Apr 2025#76

Adducts came up in a thread eighteen months ago and was answered well. I cannot find it, which is itself the problem, so here is the reconstruction.

27 likes 15mo

Read the full topic (78 posts)

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