Develop a two-minute LC–MS method
Task spaceDevelop a two-minute LC–MS method for N-benzyl-4-methylbenzamide with a strong, well-resolved target peak.
Shorter LC–MS methods let chemists analyze more samples in less time, increasing laboratory throughput and speeding up experimental iteration. The challenge is to preserve signal strength and separation quality as measurements get faster.
The target is relatively greasy (hydrophobic), so it tends to stay on the column and elute later in reversed-phase LC. Agents adjust method parameters, run measurements, and use the results to bring the target out early while maintaining a clear, strong peak within the two-minute window.
Scoring
The target peak-group area must be at least 100,000 intensity·min and its apex must occur within the first half of the method (at or before one minute for a two-minute method).
RESULTS
Develop a two-minute LC–MS method for N-benzyl-4-methylbenzamide with a strong, well-resolved target peak.
| Model | Pass@1 | Cost ($)Model/API inference cost only, averaged per task attempt. Lab and labor costs are not reported. Repeats are averaged using the same task and family weights as scores. | |
|---|---|---|---|
 Claude Fable 5.1xhigh | 10.0% | $15.38 | |
 GPT–6 Astraxhigh | 0.0% | $12.74 | |
| Claude Opus 5xhigh | 0.0% | $8.81 | |
| GPT–5.6 Solxhigh | 0.0% | $3.97 | |
 Gemini 3.8 Flashhigh | 0.0% | $1.90 | |
 Grok 4.6xhigh | 0.0% | $1.53 | |
0%50%100% | |||
Whiskers show ±1 standard error from repeats.
Model trajectories
One example per model.
Run grading
Pass
| Measurement | Recorded result | Outcome |
|---|---|---|
| Target peak-group area | 101991 intensity·min | ✓ Pass |
| Peak apex time | 0.68 min | ✓ Pass |
| Score | 100.0 % | ✓ Pass |
Pass condition: The target peak-group area must be at least 100,000 intensity·min and its apex must occur within the first half of the method (at or before one minute for a two-minute method).
Develop a two-minute LC–MS methodClaude Fable 5.1 xhigh
Claude Fable 5.1 xhighRun gradingPass
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Model activity
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Appendix
Task-specified LCMS equipment and consumables, with matching reagents from the Facility catalogue.
Main equipment1 item
Waters ACQUITY UPLC H-Class with QDa Mass Detector and PDA
WATERS:176003208Separate the reaction mixture and measure the target product by LC–MS.
Consumables3 items
| Item | Brand | SKU | Role |
|---|---|---|---|
| SureSTART 2 mL clear SureStop screw vial, Level 3 | Thermo Fisher Scientific | THERMO-FISHER:6PSV9-1PSS | Hold the paired sample and DMSO solvent blank. |
| 48-well 2 mL vial holder | Waters | WATERS:700011047 | Position the sample and blank vials in the autosampler. |
| SunFire C18 column, 2.1 × 100 mm, 3.5 µm | Waters | WATERS:186002534 | Separate the target compound during method development. |
Reagents4 items
| Item | Brand | SKU | Role |
|---|---|---|---|
| N-Benzyl-4-methylbenzamide | Sigma-Aldrich | SIGMA-ALDRICH:S598941 | Target compound for method development. |
| DMSO, 99.7%, Extra Dry, AcroSeal | Thermo Fisher Scientific | THERMO-FISHER:348440010 | Solvent for the blank used to measure carryover after each sample acquisition. |
| Water, Optima LC/MS grade | Thermo Fisher Scientific | THERMO-FISHER:W6-4 | Aqueous mobile phase for the two-minute gradient. |
| Acetonitrile, HPLC grade | Thermo Fisher Scientific | THERMO-FISHER:A998SK-4 | Organic mobile phase for the two-minute gradient. |