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Topic summary

Mass error in ppm: the arithmetic and the caveat

This is a generated summary. It shows the 9 most-liked posts from a topic of 126, 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.
BV
b.vestergaardTL2 Moderator Solution11 Feb 2026#5
k.chukwu, post #1: Mass error in ppm: the arithmetic and the caveat Writing it up because I had to work it out twice and would rather nobody else did. Working through the identity arithmetic and I would like it checked. retatrutide has a monoisotopic mass close to 4731.3 Da. On an electrospray instrument I would expect to see the multiply charged series… Go to post

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

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.

12 likes in reply to #1 5mo
AL
a.lindholmTL2 Moderator11 Feb 2026#7

Desalting before analysis: some samples need desalting to remove salts that suppress the peptide signal. Report whether desalting was used, because it can affect the apparent ionization efficiency and the reported purity.

29 likes 5mo
N
NLoughranTL3Regular12 Feb 2026#18

I read post #16 twice before replying, because I had assumed the opposite.

What mass accuracy establishes: the measured mass is consistent with a specific composition. What it does not establish: purity, sequence order, stereochemistry, or the absence of an isobaric species. Every one of those requires something else.

32 likes 5mo
JT
j.teixeiraTL2 Moderator12 Feb 2026#26
a.mwangi, post #3: I read the opening post twice before replying, because I had assumed the opposite. Two things before anyone answers the substance. First, the context in the first post is clear and specific. Second, the question is framed so that an answer can actually address it. Both are the norm here and both matter more than they sound. Go to post

post #25 answers the question as asked. The question underneath it is different.

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.

27 likes in reply to #3 5mo
RA
r.aldana_pharmdTL4Pharmacist13 Feb 2026#38

Two things before anyone answers the substance.

First, the context in the first post is clear and specific. Second, the question is framed so that an answer can actually address it. Both are the norm here and both matter more than they sound.

29 likes 5mo
KP
k.perrinTL2 Moderator13 Feb 2026#39

For anyone arriving from a search: the marked solution above is the direct answer, and the replies underneath it add the caveats that make it safe to use.

27 likes 5mo
JW
journalclub_wrenTL3Regular13 Feb 2026#43

On post #39 — agreed on the reasoning, with one qualification.

Two things before anyone answers the substance.

First, the context in the first post is clear and specific. Second, the question is framed so that an answer can actually address it. Both are the norm here and both matter more than they sound.

27 likes 5mo
EK
ew.kuuselaTL2 Moderator15 Feb 2026#93

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.

31 likes 5mo
MS
m.steinerTL2 Moderator15 Feb 2026#107

Picking up post #104: that is the part I would want checked first.

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.

32 likes 5mo

Read the full topic (126 posts)

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