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AOD-9604

What identity means for this molecule in numbers, how we measure its purity, and whether that method is validated yet. CAS 221231-10-3 Not yet checked against the CAS registry.

Identity by mass spectrometry

Identity by LC–MS means every charge state we record lands within 10 parts per million of where the formula says it must. That establishes the formula of the main component; the limits page says what it does not establish. The windows below are that criterion in daltons, at each m/z.

Molecular formula

C₇₈H₁₂₃N₂₃O₂₃S₂

Monoisotopic mass

1813.8604 Da, free peptide

Average mass

1815.08 Da, free peptide

Expected charge states of AOD-9604 in the scan range, with the 10 ppm identity window at each and the spacing of its isotope peaks.
State	m/z	10 ppm, Da	10 ppm, mDa	Isotope spacing, m/z
[M+H]⁺	1814.8676	±0.0181	±18.1	1.003
[M+2H]²⁺	907.9375	±0.0091	±9.1	0.501
[M+3H]³⁺	605.6274	±0.0061	±6.1	0.334
[M+4H]⁴⁺	454.4724	±0.0045	±4.5	0.251
[M+5H]⁵⁺	363.7793	±0.0036	±3.6	0.201

Scan range 300–2200. The bold state is the one expected to be most abundant. We expect the envelope to centre on the smaller of M/1000 + 1 and the larger of the basic-site count and M/1000, M in daltons; here that is M/1000 + 1 = 2.8. It has 3 basic sites, and a peptide this size rarely carries more charges than that. A molecule this size spreads across several states, and every state we record, at least the two most abundant, has to agree.

The last column is the spacing between neighbouring isotope peaks of each ion: the mean step one heavy isotope adds to this composition, 1.0028 Da, divided by the charge. The higher the charge, the closer the peaks; at [M+5H]⁵⁺ they sit 0.201 m/z apart, one part in 1 800 of its m/z. Resolving power is m/z over the smallest separation an instrument shows, so the method’s floor of 10 000 at m/z 1000 shows peaks 0.1 m/z apart there, against 0.20 m/z between the isotope peaks of a 5+ ion at that m/z: that is why the 10 ppm criterion is applied only on an instrument of that resolving power or better, and why a unit-resolution instrument, which shows peaks about 1 m/z apart, cannot pick the monoisotopic peak out of any cluster past 1+.

Before you send. The formula is the disulfide (Cys7–Cys14) form. The reduced peptide is 2.0157 Da heavier, and its monoisotopic peak lies 4.9 ppm from the disulfide form’s M+2 isotope peak: a 10 ppm match cannot exclude it, the shape of the isotope cluster can. ‘HGH Fragment 176-191’ as sold usually carries this same Tyr-1 sequence; native hGH 176-191 has Phe at 176 and is 15.9949 Da lighter.

Expected envelope · computed The charge states a 1.8 kDa peptide should present in ESI+, placed by arithmetic from the formula. Relative intensities are a model. Nothing here is a measurement; the measured spectrum appears on the report.

Method and validation status

Purity is area percent by RP-HPLC–UV 214 nm. Identity is LC–MS (ESI+). The matrix we accept is lyophilised powder.

Status

Validation: Not yet validated
Retention time: not yet measured on this analyte
Limit of quantitation: not yet measured
Reporting threshold: 0.05% area; no limit of quantitation is claimed yet, so a smaller peak may be present and not seen

Not yet validated means the method is written and has not been run on this analyte. The retention time and the limit of quantitation are listed once measured, with the date of the validation that produced them. The scope table shows the status of every analyte.

What the formula tells us to watch for

Contains sulfur, as methionine or as cystine. Methionine oxidises to the +15.99 Da sulfoxide, which elutes earlier than the parent on reversed phase; a disulfide can reduce (+2.02 Da) or scramble (same mass, different retention). Which applies is a sequence fact, and the report says which was checked.
Deamidation (+0.984 Da) is sought on any sequence with asparagine or glutamine. The sequence has them; where it applies it is confirmed on the chromatogram as a closely eluting peak, before or after the parent, since at charge z the mass shift is 0.984/z m/z, which at 4+ and above overlaps the M+1 isotope.
Truncation products - the sequence short by one or more residues - fall at characteristic mass offsets and are looked for at their expected m/z where the sequence is on file; the certificate lists the impurity masses that were read and whether each was assigned.

Order a test of AOD-9604

Identity and purity together, $185, in 10 business days or the invoice is cancelled, or the payment refunded, and you still get the results. One sealed container as received.

Order a test How to send a sample

What you get back

A certificate with the chromatogram, every peak, the three injections, the measured spectrum against the windows above, what could not be resolved, a full signature, a hash and a QR that verifies without us. How to read one.