Tools · Pinealon
Computed analytical data · Research use only
Pinealon mass & m/z.
Molecular formula C15H26N6O8 · Signaling & Neuroactive. Mass and m/z below are computed from the verified molecular formula; the isoelectric point is computed only where the sequence permits.
Molecular mass
| Average molecular weight | 418.41 g/mol |
|---|---|
| Monoisotopic mass | 418.1812 Da |
Average mass varies ~0.01–0.1 Da between atomic-weight tables; monoisotopic uses most-abundant-isotope masses.
ESI-MS m/z (positive mode)
| Charge state | m/z (monoisotopic) | m/z (average) |
|---|---|---|
| [M+1H]1+ | 419.1885 | 419.42 |
| [M+2H]2+ | 210.0979 | 210.21 |
| [M+3H]3+ | 140.4010 | 140.48 |
| [M+4H]4+ | 105.5526 | 105.61 |
Isoelectric point (pI)
4.18
Method: Henderson–Hasselbalch net-charge bisection. pKa set: EMBOSS. Assumptions: Linear peptide, free N- and C-termini, standard 20 L-amino acids, no post-translational modifications. Published pKa sets differ, so treat pI as method-dependent (±~0.3).
Method & provenance
- Mass: element arithmetic over the verified molecular formula. Monoisotopic uses most-abundant-isotope masses (CODATA/AME); average uses IUPAC 2021 standard atomic weights.
- ESI-MS m/z: positive-mode protonated ions [M+nH]n+, m/z = (M + n·1.007276) / n, from the computed monoisotopic (and average) mass.
- pI: computed only for linear, unmodified peptides of the standard 20 L-amino acids with free termini; otherwise flagged. Values are analytical/characterization data only — no efficacy, dosing, or human-use meaning.
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