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Mass spectrometry

LC-MS and high-resolution MS, charge states, mass accuracy in ppm, and what identity confirmation does and does not establish.

30 topics1,626 posts12 solved Moderators: dr_okonkwo, owen.brady About this category

30 topics

TopicParticipantsRepliesViewsActivity
Charge states for a 4 kDa peptide, worked through
On the subject in the title: Charge states for a 4 kDa peptide, worked through Working notes rather than a conclusion. Working through the identity arithmetic and I would like it checked. retatrutide has a…
JPERBEBWBJ+124 146 15k 16mo
[2026 update] Charge states for a 4 kDa peptide, worked through
On the subject in the title: Charge states for a 4 kDa peptide, worked through Working notes rather than a conclusion. Working through the identity arithmetic and I would like it checked. semaglutide has a…
DBBIATNAL+116 135 31k 3mo
Distinguishing a deletion sequence by mass alone
Distinguishing a deletion sequence by mass alone 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.…
RMLSMHMINM+121 129 25k 17mo
Reading an MS report that only gives you a single number
On the subject in the title: Reading an MS report that only gives you a single number Working notes rather than a conclusion. I would like to understand what this number means before I repeat it anywhere. A…
BDSBCDAMBR+100 113 48k 13mo
Counter-ion content and its effect on measured mass
On the subject in the title: Counter-ion content and its effect on measured mass Working notes rather than a conclusion. Working through the identity arithmetic and I would like it checked. retatrutide has a…
JTFAIDGHIO+100 108 45k 12mo
High-resolution MS on aggregates and what it can see
Posting this under the heading it deserves: High-resolution MS on aggregates and what it can see Everything below is what sits behind that. Working through the identity arithmetic and I would like it checked.…
CRGISCBPEC+117 123 6.5k 8mo
Adducts: sodium, potassium, and the peak you did not expect — does this still hold?
Asking directly, because I could not find a straight answer: Adducts: sodium, potassium, and the peak you did not expect — does this still hold? Posting the method first, because I know what the first three…
KBZYLVCETV+113 119 1.7k 3mo
Mass error in ppm: the arithmetic and the caveat
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.…
KCCIAMCDBV+108 125 1.5k 5mo
Distinguishing a deletion sequence by mass alone — the long version
On the subject in the title: Distinguishing a deletion sequence by mass alone — the long version Working notes rather than a conclusion. I would like to understand what this number means before I repeat it…
TFVKPFIDLF+38 44 60k 11mo
Oxidation and deamidation mass shifts, tabulated
Posting this under the heading it deserves: Oxidation and deamidation mass shifts, tabulated Everything below is what sits behind that. Working through the identity arithmetic and I would like it checked.…
AFJVIATNCS+67 76 21k 16mo
Why mass spectrometry cannot tell you about an epimer
Why mass spectrometry cannot tell you about an epimer I have a specific reason for asking rather than idle curiosity, and the context is below. Posting the method first, because I know what the first three…
DAAPINOSS+75 82 4k 17mo
Adducts: sodium, potassium, and the peak you did not expect
Adducts: sodium, potassium, and the peak you did not expect Writing it up because I had to work it out twice and would rather nobody else did. I would like to understand what this number means before I repeat…
HMDHNCJWSV+70 77 3.5k 15mo
High-resolution MS on aggregates and what it can see — one year on
High-resolution MS on aggregates and what it can see — one year on 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…
NGNDBEIWCO+54 58 1.2k 23mo
Second pass at: What a 2 ppm match establishes, and what it does not
Second pass at: What a 2 ppm match establishes, and what it does not — setting out what I have, and where I think it stops being reliable. Working through the identity arithmetic and I would like it checked.…
BSNKSTMGMM+44 49 8.1k 1d
What a 2 ppm match establishes, and what it does not
What a 2 ppm match establishes, and what it does not — that is the question, and I have not found it answered plainly anywhere I have looked. Working through the identity arithmetic and I would like it…
JVBPSOOAK+56 60 5.2k 9mo
MS/MS sequence confirmation: what it costs and when it is worth it — what changed since
Posting this under the heading it deserves: MS/MS sequence confirmation: what it costs and when it is worth it — what changed since Everything below is what sits behind that. Working through the identity…
ACCCNDVVB+34 39 21k 1mo
Coming back to: Oxidation and deamidation mass shifts, tabulated
Oxidation and deamidation mass shifts, tabulated — setting out what I have, and where I think it stops being reliable. Working through the identity arithmetic and I would like it checked. retatrutide has a…
HFSLADAKTI+34 38 4.8k 10mo
Reading an MS report that only gives you a single number — the long version
Reading an MS report that only gives you a single number — the long version — setting out what I have, and where I think it stops being reliable. I would like to understand what this number means before I…
TTRAK 2 47k 18mo
Mass error in ppm: the arithmetic and the caveat — a second dataset
On the subject in the title: Mass error in ppm: the arithmetic and the caveat — a second dataset Working notes rather than a conclusion. Working through the identity arithmetic and I would like it checked.…
HKGVDWONW+20 24 1.7k 1d
About the Mass spectrometry category
LC-MS and high-resolution MS, charge states, mass accuracy in ppm, and what identity confirmation does and does not establish. This post is a community wiki: any member at trust level 3 or above can edit it,…
DOOBLDBDRV+5 9 19k 6h
Isotope patterns and why the monoisotopic peak is not the tallest
Isotope patterns and why the monoisotopic peak is not the tallest — setting out what I have, and where I think it stops being reliable. Working through the identity arithmetic and I would like it checked.…
EKFHPNMBUC+12 16 7.5k 17mo
Second pass at: Counter-ion content and its effect on measured mass
Second pass at: Counter-ion content and its effect on measured mass 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…
SORSLAFFOV 4 16k 4mo
Second pass at: MALDI versus ESI for a quick identity check
Second pass at: MALDI versus ESI for a quick identity check 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…
MALKO 2 18k 7mo
Coming back to: Deconvolution of a multiply charged envelope
On the subject in the title: Deconvolution of a multiply charged envelope Working notes rather than a conclusion. Working through the identity arithmetic and I would like it checked. tirzepatide has a…
VRCVEL 2 12k 22mo
Isotope patterns and why the monoisotopic peak is not the tallest — does this still hold?
Isotope patterns and why the monoisotopic peak is not the tallest — does this still hold? — that is the question, and I have not found it answered plainly anywhere I have looked. Working through the identity…
PODBTD 2 4.6k 7h
MS/MS sequence confirmation: what it costs and when it is worth it
MS/MS sequence confirmation: what it costs and when it is worth it — setting out what I have, and where I think it stops being reliable. I would like to understand what this number means before I repeat it…
SVSLSTGBLM+2 6 2.7k 1d
MALDI versus ESI for a quick identity check
On the subject in the title: MALDI versus ESI for a quick identity check Working notes rather than a conclusion. Working through the identity arithmetic and I would like it checked. tirzepatide has a…
RMTVO 2 2k 11mo
[2026 update] Why mass spectrometry cannot tell you about an epimer
Why mass spectrometry cannot tell you about an epimer — that is the question, and I have not found it answered plainly anywhere I have looked. Working through the identity arithmetic and I would like it…
GTAPFP 2 1k 8mo
Charge states for a 4 kDa peptide, worked through — the long version
Charge states for a 4 kDa peptide, worked through — the long version 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…
HEGTMI 2 293 3mo
Deconvolution of a multiply charged envelope
Deconvolution of a multiply charged envelope — setting out what I have, and where I think it stops being reliable. Working through the identity arithmetic and I would like it checked. tirzepatide has a…
IDIAJV 2 63 10mo