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Analytics · Mass spectrometry · continued

Mass error in ppm: the arithmetic and the caveat posts 121–126

This is a continuation of a long topic, addressed by post number rather than by page. Start at post 1 · go to the accepted answer.

MD
m.dumitruTL2 Moderator16 Feb 2026#121

Picking up post #118: that is the part I would want checked first.

Thank you for the correction. I have edited my earlier post with a note rather than silently, so the thread still makes sense to read. The error was mine and it was the kind that comes from remembering a figure instead of looking it up.

25 likes 5mo
Z
ZieglerTL3Regular16 Feb 2026#122

Calibration matters: a high-resolution instrument out of calibration can report mass with ppm error large enough to be uninformative. Check when the instrument was last calibrated before trusting the reported accuracy.

0 likes 5mo
DN
d.ndiayeTL2 Moderator16 Feb 2026#123
l.ferreira, post #83: Common adducts: sodium adds ≈22, potassium adds ≈38 compared to hydrogen. A [M+Na]+ peak is common and its mass is predictable from the base mass. 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.

4 likes in reply to #83 5mo
W
WickramasingheTL2Member16 Feb 2026#124

On post #120 — agreed on the reasoning, with one qualification.

Sample matrix effects: if a sample is dissolved in a complex matrix, other compounds in the matrix can suppress the peptide signal. Clean samples give higher sensitivity than dirty samples.

12 likes 5mo
PO
p.onwukaTL2 Moderator16 Feb 2026 · edited#125

Tandem mass spectrometry: MS/MS fragments the molecular ion and uses fragment masses to confirm identity and detect modifications. A simple identity confirmation by LC-MS does not address post-translational modifications or impurities with the same or very close mass.

18 likes 5mo
LA
l.aaltonenTL3Regular16 Feb 2026#126

Having read the exchange above, I think I was wrong earlier in this topic and I want to say so plainly rather than quietly editing.

The correction was fair and I had been repeating something I had not checked carefully enough.

0 likes 5mo

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