Compound reference · Dinucleotide coenzyme (not a peptide)
NAD+ COA check: molecular weight, formula and what to look for
Use these reference values to check the identity result on a NAD+ Certificate of Analysis. The theoretical average molecular weight of NAD+ is 663.43 Da and the monoisotopic mass is 663.109 Da.
Check a NAD+ COA nowNAD+ reference data
| Name | NAD+ |
|---|---|
| Also known as | Nicotinamide adenine dinucleotide, β-NAD |
| Type | Dinucleotide coenzyme (not a peptide) |
| Molecular formula | C21H27N7O14P2 |
| Average molecular weight | 663.43 g/mol (Da) |
| Monoisotopic mass | 663.1091 Da |
| Reference source | PubChem CID 5892 (formula and mass cross-checked) |
Expected mass spectrometry ions
A NAD+ COA may list one of these m/z values instead of the neutral mass. That is still consistent with NAD+. How charge states work.
| Ion | m/z (monoisotopic) | m/z (average) |
|---|---|---|
| [M+H]+ | 664.12 | 664.44 |
| [M+2H]2+ | 332.56 | 332.72 |
| [M+3H]3+ | 222.04 | 222.15 |
What else can show up on a NAD+ COA
Masses calculated from NAD+'s formula for the adducts, degradation products and synthesis impurities a lab report can show. A match tells you what the extra peak probably is.
| Signal | Value | What it means |
|---|---|---|
| Na adduct, deconvoluted (M + 21.98) | 685.09 Da | Sodium adduct: an MS artifact, not a separate impurity. The [M+Na]+ ion itself is at M + 22.99 |
Adduct rows are deconvoluted masses (the shift seen against [M+H]+); the singly charged [M+Na]+ ion itself sits at M + 22.99. Deletion masses alone can't say which copy of a repeated residue is missing.
For NAD+, look for 98% or higher HPLC purity on a recent test date, since it degrades with heat and moisture. The full checklist is in how to read a peptide COA.
NAD+-specific things to watch
NAD+ is not a peptide. It is a dinucleotide coenzyme, but it is sold by many peptide vendors and comes with a similar COA, so it is included here. Reference mass is about 663.4 Da.
NAD+ is analyzed well in negative-mode MS, where [M−H]⁻ appears near 662.1 m/z. In positive mode, [M+H]⁺ is near 664.1 m/z.
NAD+ degrades to nicotinamide and ADP-ribose with heat and moisture. An HPLC purity of 98% or higher on a recent test date is particularly important, and a yellowish or clumped powder is a warning sign.
The reduced form, NADH, is about 2 Da heavier than NAD+ (near 665.4 Da). A COA near 665 on an NAD+ product suggests NADH, or a reporting error. Note that NADH's [M-H]- and NAD+'s [M+H]+ both fall at 664.12 m/z, so a figure of "664" without the ionization mode is ambiguous.
NAD+ breaks down into nicotinamide (about 122.1 Da) and ADP-ribose (about 559.3 Da). Peaks at those masses, or extra peaks in the HPLC trace, point to degraded material.
Compounds with similar mass
If a COA's mass is off, compare it with these neighbors. A match to one of them can point to a mislabeled product.
- SS-31 (Elamipretide): 639.79 Da (-23.64 Da)
- Ipamorelin: 711.85 Da (+48.42 Da)
- Selank: 751.87 Da (+88.44 Da)
Sources
- PubChem CID 5892: NAD+ formula and reference mass.
- CIAAW: Standard atomic weights: Used to calculate average molecular weights.
- NIST CODATA: proton mass: Used to convert m/z charge states to neutral mass.
- PeptideCOACheck methodology: How the checker's thresholds work.
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Frequently asked questions
How do I tell NAD+ from NADH on a COA?
By mass: about 663.4 Da for NAD+ versus about 665.4 Da for NADH.
What are the breakdown products of NAD+?
Mainly nicotinamide (about 122.1 Da) and ADP-ribose (about 559.3 Da), formed with heat and moisture.
What does 662.1 m/z mean on an NAD+ COA?
The [M-H]- ion from negative-mode MS, which suits NAD+ well.
For laboratory research use only. This page describes analytical chemistry data. It is not medical advice and makes no claim about effects in humans or animals.