LC-MS Bioanalysis Assist Pro — 1-year License

LC-MS Bioanalysis Assist Pro™ — 1-Year Licence

Start a bioanalytical LC-MS/MS method from the structure, not from habit.

Day one of every bioanalytical method asks the same questions. Which polarity? Which ion and which transition? Which column, which pH, which extraction? And what will quietly go wrong in week three, the phospholipids under your peak, the acyl glucuronide converting back to parent, the internal standard that cross-talks with the analyte's own isotopes?

LC-MS Bioanalysis Assist Pro answers them from the molecule. Enter a structure and the study it must serve, matrix, sample volume, LLOQ, ULOQ, throughput and instrument and follow it through eight connected steps.

TRY IT FIRST — FREE DEMO, NO KEY

https://lcms-bioanalysis-assist-pro.vercel.app

Amlodipine, metformin, diclofenac and testosterone run through all eight steps.

WHAT IT DOES

1. Molecule & study — 14 worked examples, PubChem search (structure, experimental logP and reported pKa) or any SMILES. Salts stripped to the free parent automatically.

2. Physico-chemical profile — exact monoisotopic and average mass, logP, logD across pH, TPSA, every ionisable group with its pKa, and the net charge at pH 2.7, 7.4 and 10. Literature or measured values override the estimates.

3. Ions & mass spectrometry — ESI+, ESI− and APCI+ scored with the reason for each; the precursor to tune with exact m/z; every adduct; the isotope pattern (Cl/Br signatures included); candidate MRM transitions with starting collision energy; source settings; and the stable-isotope label your internal standard needs, checked against ICH M10 cross-talk limits.

4. Chromatography — columns ranked (C18, aqueous C18, hybrid high-pH, biphenyl, PFP, HILIC, mixed-mode), MS-friendly mobile phases screened by pH, a ready-to-run gradient with the expected retention time, a phospholipid-zone check — and one scouting injection to turn the estimate into a measurement.

5. Sample extraction — protein precipitation, phospholipid removal, LLE, SLE, mixed-mode SPE (MCX, MAX, WCX, WAX, HLB) and dilute-and-shoot, scored for your matrix and LLOQ, with a step-by-step starting protocol.

6. Risks & controls — esterase hydrolysis, lactone interconversion, acyl-glucuronide back-conversion, in-source fragmentation, adsorption, carryover, endogenous analytes and more, each with its control.

7. Five-day start plan — a compound-specific sprint from first infusion to a mini precision-and-accuracy run, with ICH M10 acceptance criteria.

8. Professional report — a branded Word (.docx) report or PDF, plus project save and reopen.

WORKED EXAMPLE — DICLOFENAC IN PLASMA

ESI− scores 90. Precursor [M−H]⁻ m/z 294.0094, first transition 294 → 250. Two chlorines put the M+2 isotope at 65.6 %, so the internal standard needs at least +6 Da. Predicted elution near 70 %B sits inside the phospholipid zone — flagged on day one, with the control.

WHAT YOU GET

- One-year licence key, delivered instantly by Payhip.

- Use on 2 devices (one at a time) — move between computers with "Use on another device"

- Professional User Guide (17 pages, real screenshots) and a Welcome / quick-start sheet

- Runs in any modern browser — Chrome, Edge, Firefox, Safari. Nothing to install.

- Your data stays on your computer. Only a name you choose to look up is sent to PubChem.

WHO IT IS FOR

Bioanalytical scientists, LC-MS method developers, CRO and pharma DMPK labs, and anyone starting a new small-molecule assay in plasma, serum, whole blood, urine, CSF, tissue or dried blood spots.

SCOPE, STATED PLAINLY

A scientific decision-support tool. Its estimates come from structure-based rules, not measurements. It is not a validated computerised system, does not create a controlled GxP record, and does not replace method development or ICH M10 validation. Confirm every estimate on your own instrument.

Expand Your Learning:

• YouTube Channel: Watch step-by-step educational videos at YouTube/@PracticalPharmaScience.
• Practical Pharma Science Website: Visit practicalpharmascience.com to access 20+ FREE practical HPLC & LC-MS tools. Plus, check out the Chromie Academy web application for free interactive courses!

Questions: practicalpharma.science@yahoo.com

Mirela Gorjanu — Practical Pharma Science™