Description
Return cyclization/adduct mass bookkeeping.
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 cyclization/adduct mass bookkeeping.
When to use this tool
Use Peptide Cyclization Mass Delta when checking the stated peptide cleavage or mass-adjustment convention.
How to use the tool and how it works
- Enter linearMass, releasedMassPerClosure, closureCount, adductDelta. Use the units and conventions below.
- Run the tool. Correct any format, range, or cross-field input error before interpreting the output.
- Read massDelta, cyclicMass. Use the output convention below.
Return cyclization/adduct mass bookkeeping. Require nonnegative linearMass/releasedMassPerClosure and whole closureCount >= 0; massDelta = -releasedMass*closures+adductDelta, cyclicMass adds it to linearMass.1
| Input field | Meaning and units | Accepted input |
|---|---|---|
| linearMass | Linear Mass | Required. Finite number; minimum 0. |
| releasedMassPerClosure | Released Mass Per Closure | Required. Finite number; minimum 0. |
| closureCount | Closure Count | Required. Safe integer; minimum 0. |
| adductDelta | Adduct Delta | Required. Finite number. |
| Output field | Interpretation | Returned shape |
|---|---|---|
| massDelta | Mass Delta | Required. Finite number. |
| cyclicMass | Cyclic Mass | Required. Finite number. |
{
"input": {
"linearMass": 1000,
"releasedMassPerClosure": 18,
"closureCount": 1,
"adductDelta": 0
},
"output": {
"massDelta": -18,
"cyclicMass": 982
}
}Limitations and assumptions
- Released species and adducts are supplied, and resulting mass may be negative; no reaction chemistry or molecular structure is validated.
- 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 Disulfide Mass Adjustment
Return mass change for supplied disulfide bonds.
- Protein Digest Peptide Count Cleavage Budget
Return a cleavage-count peptide budget.