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mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and what a mass shift of one, eighteen or one hundred and twenty-eight daltons tells you about what went wrong.

38 questions · sorted by votes · page 1 of 2

41 votes 5 answers35k views
Would identity confirmation by mass spectrometry distinguish aspartimide formation from a synthesis impurity in a GLP-1 receptor agonist?

The particulars: identity confirmation by mass spectrometry · aspartimide formation · a GLP-1 receptor agonist. The comparison I want does not seem to exist anywhere…

peptide-mapping
peptide-mapping

Enzymatic digestion followed by LC-MS/MS to confirm sequence rather than just mass. The method that catches a scrambled sequence or a D-amino-acid…

83 questions
purity
purity

Purity as chromatographic area per cent - the fraction of detected material that is your target peak. It says nothing about how much material is…

788 questions
mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
asked by mass_shift_18 14k · 19 months ago
39 votes 5 answers65k views
How do I compute the +4 charge state m/z for a peptide of 4207.2 Da?

The specifics, since they change the answer: +4 · 4207.2 Da. I would like the arithmetic checked rather than the conclusion asserted. I have deliberately not used an…

mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
dosing-math
dosing-math

The arithmetic itself: milligrams to millilitres to insulin units, concentration after reconstitution, dose per draw, and vial-days per vial. Show…

811 questions
purity
purity

Purity as chromatographic area per cent - the fraction of detected material that is your target peak. It says nothing about how much material is…

788 questions
asked by dermot_kiely 14k · 2.0 years ago
39 votes 5 answers33k views
Would a sterility test distinguish dimerisation from a synthesis impurity in tirzepatide?

What I have: a sterility test · dimerisation · tirzepatide. I have used one of these for a while and I am considering switching, which requires a reason. What I care…

peptide-mapping
peptide-mapping

Enzymatic digestion followed by LC-MS/MS to confirm sequence rather than just mass. The method that catches a scrambled sequence or a D-amino-acid…

83 questions
purity
purity

Purity as chromatographic area per cent - the fraction of detected material that is your target peak. It says nothing about how much material is…

788 questions
mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
asked by assay_blank 39k · 19 months ago
35 votes5 answers31k views
How do I compute the +2 charge state m/z for a peptide of 4207.2 Da?

What I have: +2 · 4207.2 Da. This should be a straightforward calculation and I keep getting two different answers. The numbers are arbitrary; the method is what I am…

mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
dosing-math
dosing-math

The arithmetic itself: milligrams to millilitres to insulin units, concentration after reconstitution, dose per draw, and vial-days per vial. Show…

811 questions
purity
purity

Purity as chromatographic area per cent - the fraction of detected material that is your target peak. It says nothing about how much material is…

788 questions
asked by liam_bracken 12k · 22 months ago
31 votes 5 answers35k views
How do I compute the +5 charge state m/z for a peptide of 4113.6 Da?

Conditions: +5 · 4113.6 Da. I want the working, not the result — I need to be able to redo it with different numbers. I care about the precision as well as the value…

mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
dosing-math
dosing-math

The arithmetic itself: milligrams to millilitres to insulin units, concentration after reconstitution, dose per draw, and vial-days per vial. Show…

811 questions
purity
purity

Purity as chromatographic area per cent - the fraction of detected material that is your target peak. It says nothing about how much material is…

788 questions
asked by w_okoye 40k · 2.0 years ago
28 votes 5 answers38k views
Would peptide mapping distinguish oxidation from a synthesis impurity in cagrilintide?

The particulars: peptide mapping · oxidation · cagrilintide. I am trying to choose between two options that are usually discussed as though only one exists. I am not…

peptide-mapping
peptide-mapping

Enzymatic digestion followed by LC-MS/MS to confirm sequence rather than just mass. The method that catches a scrambled sequence or a D-amino-acid…

83 questions
purity
purity

Purity as chromatographic area per cent - the fraction of detected material that is your target peak. It says nothing about how much material is…

788 questions
mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
asked by kofi_mensah 12k · 14 months ago
28 votes 3 answers12k views
If the mass spec matches exactly, why is that not proof the vial is pure?

A vendor sent me a report showing a clean deconvolved mass at 4113.6 for semaglutide with, in their words, "no impurity peaks detected". Their sales copy turns that…

mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
purity
purity

Purity as chromatographic area per cent - the fraction of detected material that is your target peak. It says nothing about how much material is…

788 questions
coa
coa

Certificates of analysis: what fields a useful one carries, how to tell a real analytical report from a marketing document, batch and lot…

749 questions
hplc
hplc

Reverse-phase high-performance liquid chromatography, the workhorse purity method. Column chemistry, mobile-phase choice, gradient slope,…

466 questions
janoshik
janoshik

Janoshik Analytical, an independent third-party testing laboratory widely used by this community for HPLC purity, identity and quantified content…

34 questions
asked by net_peptide 16k · 20 months ago
27 votes 5 answers51k views
How do I compute the +5 charge state m/z for a peptide of 4813.5 Da?

The case in front of me: +5 · 4813.5 Da. I want the working, not the result — I need to be able to redo it with different numbers. I care about the precision as well…

mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
dosing-math
dosing-math

The arithmetic itself: milligrams to millilitres to insulin units, concentration after reconstitution, dose per draw, and vial-days per vial. Show…

811 questions
purity
purity

Purity as chromatographic area per cent - the fraction of detected material that is your target peak. It says nothing about how much material is…

788 questions
asked by leah_ferrers 15k · 22 months ago
27 votes 5 answers27k views
How do I compute the +4 charge state m/z for a peptide of 3751.0 Da?

The specifics, since they change the answer: +4 · 3751.0 Da. I would rather understand the derivation than memorise the outcome. Two people I asked gave two answers…

mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
dosing-math
dosing-math

The arithmetic itself: milligrams to millilitres to insulin units, concentration after reconstitution, dose per draw, and vial-days per vial. Show…

811 questions
purity
purity

Purity as chromatographic area per cent - the fraction of detected material that is your target peak. It says nothing about how much material is…

788 questions
asked by lyoph_cake 95k · 18 months ago
25 votes1 answer19k views
How do I compute the +4 charge state m/z for a peptide of 4731.3 Da?

For reference: +4 · 4731.3 Da. I would rather understand the derivation than memorise the outcome. Two people I asked gave two answers that differ by a factor of ten,…

mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
dosing-math
dosing-math

The arithmetic itself: milligrams to millilitres to insulin units, concentration after reconstitution, dose per draw, and vial-days per vial. Show…

811 questions
purity
purity

Purity as chromatographic area per cent - the fraction of detected material that is your target peak. It says nothing about how much material is…

788 questions
asked by gradient_slope 41k · 13 months ago
22 votes 5 answers30k views
Would an endotoxin test distinguish racemisation from a synthesis impurity in survodutide?

What I am working with: an endotoxin test · racemisation · survodutide. I suspect the honest answer is that it depends, in which case I would like to know on what.…

peptide-mapping
peptide-mapping

Enzymatic digestion followed by LC-MS/MS to confirm sequence rather than just mass. The method that catches a scrambled sequence or a D-amino-acid…

83 questions
purity
purity

Purity as chromatographic area per cent - the fraction of detected material that is your target peak. It says nothing about how much material is…

788 questions
mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
asked by retest_please 13k · 15 months ago
22 votes3 answers6.5k views
When is LC-MS/MS peptide mapping worth paying for instead of a plain intact mass?

I have been quoted roughly four times the price of a purity-plus-identity panel for something described as "tryptic digest with LC-MS/MS peptide mapping and sequence…

peptide-mapping
peptide-mapping

Enzymatic digestion followed by LC-MS/MS to confirm sequence rather than just mass. The method that catches a scrambled sequence or a D-amino-acid…

83 questions
lc-ms
lc-ms

Liquid chromatography coupled to mass spectrometry: separation and identification in one run, and the method of choice when you need to know not…

14 questions
mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
semaglutide
semaglutide

A GLP-1 receptor agonist with a fatty-acid-acylated backbone and a roughly one-week half-life, marketed for type 2 diabetes and for weight…

360 questions
batch-testing
batch-testing

Testing at the batch or lot level: sampling plans, how many vials from a lot need testing to say anything about the lot, and the difference…

865 questions
asked by fiadh_cronin 14k · 12 months ago
22 votes 5 answers4.5k views
What does a 1 Da mass shift on an ESI-MS spectrum indicate?

The method section is present, which is unusual enough that I want to make use of it. I have read the primary source rather than the summary, which has left me with…

mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
purity
purity

Purity as chromatographic area per cent - the fraction of detected material that is your target peak. It says nothing about how much material is…

788 questions
peptide-mapping
peptide-mapping

Enzymatic digestion followed by LC-MS/MS to confirm sequence rather than just mass. The method that catches a scrambled sequence or a D-amino-acid…

83 questions
asked by ivo_paunovic 15k · 2 months ago
21 votes 5 answers9.3k views
How do I compute the +5 charge state m/z for a peptide of 4207.2 Da?

Conditions: +5 · 4207.2 Da. I want the working, not the result — I need to be able to redo it with different numbers. I care about the precision as well as the value…

mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
dosing-math
dosing-math

The arithmetic itself: milligrams to millilitres to insulin units, concentration after reconstitution, dose per draw, and vial-days per vial. Show…

811 questions
purity
purity

Purity as chromatographic area per cent - the fraction of detected material that is your target peak. It says nothing about how much material is…

788 questions
asked by petra_hovland 42k · 6 months ago
20 votes 5 answers26k views
What is aspartimide formation and how would I detect it?

I have continuous temperature data for the period in question, which is unusual and I would like to use it. I would like the mechanism, because I want to be able to…

peptide-stability
peptide-stability

The chemistry of peptide degradation: deamidation, oxidation, hydrolysis, aggregation and fibrillation, and how temperature, pH, ionic strength,…

832 questions
purity
purity

Purity as chromatographic area per cent - the fraction of detected material that is your target peak. It says nothing about how much material is…

788 questions
mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
asked by kirsi_lahtinen 45k · 14 months ago
20 votes 5 answers8.4k views
How do I compute the +3 charge state m/z for a peptide of 4113.6 Da?

What I am working with: +3 · 4113.6 Da. I have worked this out and I would like someone to find the error, because I suspect there is one. My working so far, for the…

mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
dosing-math
dosing-math

The arithmetic itself: milligrams to millilitres to insulin units, concentration after reconstitution, dose per draw, and vial-days per vial. Show…

811 questions
purity
purity

Purity as chromatographic area per cent - the fraction of detected material that is your target peak. It says nothing about how much material is…

788 questions
asked by thabo_maseko 20k · 5 months ago
19 votes 5 answers22k views
How do I compute the +2 charge state m/z for a peptide of 4113.6 Da?

Details up front: +2 · 4113.6 Da. I can do the algebra. I am not confident about the conversion factors. If there is a standard way to lay this out, I would rather…

mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
dosing-math
dosing-math

The arithmetic itself: milligrams to millilitres to insulin units, concentration after reconstitution, dose per draw, and vial-days per vial. Show…

811 questions
purity
purity

Purity as chromatographic area per cent - the fraction of detected material that is your target peak. It says nothing about how much material is…

788 questions
asked by rota_site 55k · 12 months ago
19 votes 5 answers22k views
Would a residual-solvent screen distinguish hydrolysis from a synthesis impurity in ecnoglutide?

What I am working with: a residual-solvent screen · hydrolysis · ecnoglutide. Both of these get recommended confidently by different people, which suggests neither is…

peptide-mapping
peptide-mapping

Enzymatic digestion followed by LC-MS/MS to confirm sequence rather than just mass. The method that catches a scrambled sequence or a D-amino-acid…

83 questions
purity
purity

Purity as chromatographic area per cent - the fraction of detected material that is your target peak. It says nothing about how much material is…

788 questions
mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
asked by colm_dunphy 16k · 18 months ago
19 votes 5 answers21k views
What does "identity confirmed" mean without a quantified content figure?

I am comparing a supplier certificate against an independent result on the same lot. I would like help reading this properly rather than being told what conclusion to…

coa
coa

Certificates of analysis: what fields a useful one carries, how to tell a real analytical report from a marketing document, batch and lot…

749 questions
content-assay
content-assay

Quantified content: how many milligrams of peptide are actually in the vial, measured against a calibrated reference standard. A separate test…

438 questions
mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
asked by dermot_kiely 14k · 14 months ago
19 votes0 answers20k views
How do I compute the expected m/z for the +3 charge state of tirzepatide?

This is my second independent submission on material from the same supplier. I would rather understand the derivation than memorise the outcome. Two people I asked…

mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
dosing-math
dosing-math

The arithmetic itself: milligrams to millilitres to insulin units, concentration after reconstitution, dose per draw, and vial-days per vial. Show…

811 questions
tirzepatide
tirzepatide

A dual GIP and GLP-1 receptor agonist. Questions here cover the SURPASS and SURMOUNT programmes, the practical differences from a pure GLP-1…

162 questions
asked by seamus_brady 17k · 21 months ago
19 votes 3 answers9.9k views
How do I compute the +2 charge state m/z for a peptide of 4813.5 Da?

Numbers first: +2 · 4813.5 Da. This should be a straightforward calculation and I keep getting two different answers. The numbers are arbitrary; the method is what I…

mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
dosing-math
dosing-math

The arithmetic itself: milligrams to millilitres to insulin units, concentration after reconstitution, dose per draw, and vial-days per vial. Show…

811 questions
purity
purity

Purity as chromatographic area per cent - the fraction of detected material that is your target peak. It says nothing about how much material is…

788 questions
asked by net_peptide 16k · 4 months ago
18 votes3 answers7.3k views
What does an 18 Da, 1 Da or 128 Da mass shift next to the main peak actually tell me?

The deconvolved mass spectrum on a tirzepatide report shows the expected 4813.5 peak plus three satellites I do not understand: one at 4795.5, one at 4814.5 that…

mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
lc-ms
lc-ms

Liquid chromatography coupled to mass spectrometry: separation and identification in one run, and the method of choice when you need to know not…

14 questions
purity
purity

Purity as chromatographic area per cent - the fraction of detected material that is your target peak. It says nothing about how much material is…

788 questions
batch-testing
batch-testing

Testing at the batch or lot level: sampling plans, how many vials from a lot need testing to say anything about the lot, and the difference…

865 questions
tirzepatide
tirzepatide

A dual GIP and GLP-1 receptor agonist. Questions here cover the SURPASS and SURMOUNT programmes, the practical differences from a pure GLP-1…

162 questions
asked by wren_calloway 14k · 11 months ago
17 votes 4 answers9.1k views
How do I check that the ESI-MS peaks on a COA actually correspond to semaglutide or tirzepatide?

I have two third-party reports in front of me. Both say "identity confirmed by ESI-MS" and both include a spectrum, but the spectra look nothing like the single clean…

mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
lc-ms
lc-ms

Liquid chromatography coupled to mass spectrometry: separation and identification in one run, and the method of choice when you need to know not…

14 questions
semaglutide
semaglutide

A GLP-1 receptor agonist with a fatty-acid-acylated backbone and a roughly one-week half-life, marketed for type 2 diabetes and for weight…

360 questions
tirzepatide
tirzepatide

A dual GIP and GLP-1 receptor agonist. Questions here cover the SURPASS and SURMOUNT programmes, the practical differences from a pure GLP-1…

162 questions
coa
coa

Certificates of analysis: what fields a useful one carries, how to tell a real analytical report from a marketing document, batch and lot…

749 questions
asked by fresh_bac 13k · 17 months ago
13 votes 5 answers23k views
How do I compute the +3 charge state m/z for a peptide of 4813.5 Da?

Setup, so nobody has to ask: +3 · 4813.5 Da. The units are where I keep going wrong, so please be explicit about them. I have sanity-checked the order of magnitude…

mass-spec
mass-spec

Mass spectrometry for identity confirmation: electrospray ionisation, multiple charge states, monoisotopic versus average mass, deconvolution, and…

38 questions
dosing-math
dosing-math

The arithmetic itself: milligrams to millilitres to insulin units, concentration after reconstitution, dose per draw, and vial-days per vial. Show…

811 questions
purity
purity

Purity as chromatographic area per cent - the fraction of detected material that is your target peak. It says nothing about how much material is…

788 questions
asked by rosa_mendieta 13k · 2.3 years ago
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