Description
Return mass change for supplied disulfide bonds.
Peptide mass and cleavage budgets require explicit assumptions about chain structure, bond formation, released species and mass convention. Adding or subtracting supplied contributions does not determine a sequence, reaction mechanism or the actual products of digestion or cyclization.
Return mass change for supplied disulfide bonds.
When to use this tool
Use Peptide Disulfide Mass Adjustment when checking the stated peptide cleavage or mass-adjustment convention.
How to use the tool and how it works
- Enter reducedMass, bonds, hydrogenAtomMass. Use the units and conventions below.
- Run the tool. Correct any format, range, or cross-field input error before interpreting the output.
- Read massLoss, oxidizedMass. Use the output convention below.
Return mass change for supplied disulfide bonds. Require nonnegative whole bonds, hydrogenAtomMass > 0 and reducedMass >= 2*bonds*hydrogenMass; massLoss = 2*bonds*hydrogenMass, oxidizedMass subtracts it.1
| Input field | Meaning and units | Accepted input |
|---|---|---|
| reducedMass | Reduced Mass | Required. Finite number. |
| bonds | Bonds | Required. Safe integer; minimum 0. |
| hydrogenAtomMass | Hydrogen Atom Mass | Required. Finite number; strictly above 0. |
| Output field | Interpretation | Returned shape |
|---|---|---|
| massLoss | Mass Loss | Required. Finite number. |
| oxidizedMass | Oxidized Mass | Required. Finite number. |
{
"input": {
"reducedMass": 1000,
"bonds": 2,
"hydrogenAtomMass": 1
},
"output": {
"massLoss": 4,
"oxidizedMass": 996
}
}Limitations and assumptions
- Use a consistent exact or average atomic-mass convention; bond locations, oxidation state and actual peptide identity are not determined.
- Inputs must satisfy both the field types and the cross-field conditions above. Invalid input causes an error; a successful false flag or documented placeholder is a different result.
- Numeric calculations use binary floating point unless exact decimal-integer arithmetic is explicitly stated. No hidden measurement tolerance or decimal rounding is added; nonfinite or out-of-contract results are rejected. Numeric signed-zero results are exported as zero.
Alternative or Complementary methods
Use the complete sequence, verified chemistry and a consistent monoisotopic/average mass convention for actual molecular or digestion-product analysis.
References
Similar or alternative tools
- Peptide Cyclization Mass Delta
Return cyclization/adduct mass bookkeeping.
- Protein Digest Peptide Count Cleavage Budget
Return a cleavage-count peptide budget.