Three steps to your first spectrum
New to the facility? This is the entire workflow — certification, sample prep, and data collection.
Complete the induction course
An online certification course — required once for all new users. ~35 minutes, instant certificate, then your TopSpin username is created.
Get certified Step 02Prepare & submit your sample
178 × 5 mm tube, 600 µL deuterated solvent, no particles, clear label. Choose day or night queue and place it in the changer.
Prep rules & queues Step 03Collect your data
Data arrives automatically by email within 1–2 minutes of completion, with a Proton Drive backup. Process in MestreNova or TopSpin.
Data & softwareWhat you're working with
A research-grade 400 MHz Bruker Ascend Evo with automated sample handling — available to all AU researchers around the clock.
The facility runs a 9.4 Tesla superconducting magnet with a SmartProbe capable of detecting all common NMR-active nuclei (¹H, ¹³C, ¹⁵N, ¹⁹F, ³¹P and more) without probe swaps. A 24-position automated sample changer enables unattended overnight experiments.
Data is delivered automatically by email within 1–2 minutes of experiment completion, backed up to Proton Drive, and available for download via a direct link.
Five rules. Zero exceptions.
Every failed experiment at BCE NMR traces back to one of these five preparation steps. Get them right every time.
178 × 5 mm tube
No other dimensions. Wrong tube size prevents proper shimming in the SampleXpress changer and produces broad, unusable peaks.
Deuterated solvent only
CDCl₃, DMSO-d₆, D₂O, CD₃OD. Non-deuterated solvents produce a massive peak that swamps your compound signal completely.
600 µL exactly
Fills the active coil of the SmartProbe. Too little loses sensitivity; too much makes shimming impossible. Aim for ≈ 4 cm column height.
No particles
Centrifuge or filter before submission. Suspended solids disrupt field homogeneity, broaden every peak, and ruin the baseline.
Label: name · ID · solvent
Unlabelled tubes are removed from the changer without running. Include your name, a compound identifier or date, and the solvent used.
Day queue vs night queue
Know which queue to use before you walk to the lab. The rules exist to keep the changer fair for everyone.
For experiments under 35 minutes. First come, first served.
Place your sample any time during working hours and it runs in order.
For experiments 35 minutes or longer. Weekends included.
Place samples only after 15:00 — earlier placement blocks the day changer unnecessarily.
Collect within 1–48 hours of completion. You receive an automatic email when done.
| Experiment | Scans | Time | Queue |
|---|---|---|---|
| ¹H NMR (quick) | 4–16 | ~1.5 min | Day |
| ¹H NMR (high res) | 64–128 | ~5–10 min | Day |
| ¹³C NMR (quick) | 32–128 | ~8–15 min | Day |
| ¹³C NMR (routine) | 256–512 | ~20–30 min | Night |
| HSQC / COSY | 4–16 | ~15–30 min | Night |
| ¹³C NMR (high res) | 1024 | ~60 min | Night |
| HMBC / DOSY | 8–32 | ~30–120 min | Night |
Find the right experiment
Search by name, nucleus, or technique. Click any card for sample requirements, scan counts, and tips.
¹H NMR · Proton
Sample: ≥ 5 mg
- Quick: 4 scans (~1.5 min)
- High res: 16–64 scans
¹³C NMR · Carbon backbone
Sample: ≥ 50 mg (1% natural abundance)
- Quick: 32 scans (~8 min, day)
- Routine: 256 scans
- High res: 512 scans (~30 min, night)
- Ultra: 1024 scans (~60 min, night)
HSQC · ¹H–¹³C one-bond
Sample: 50–100 mg
- Fast: 4 scans
- Detailed: 16 scans (~30 min, night)
COSY · ¹H–¹H coupling
Sample: 5–10 mg
- Screen: 2 scans
- Detailed: 16 scans (~30 min, night)
HMBC · Long-range ¹H–¹³C
Sample: 50–100 mg
- Standard: 8 scans
- Extended: 16 scans
¹⁹F NMR · Fluorine
Sample: 5–10 mg (very sensitive)
- Quick: 16 scans
- Detailed: 64 scans
³¹P NMR · Phosphorus
Sample: 5–10 mg
- Screen: 16 scans (~1 min, day)
- Detailed: 64 scans
DEPT · Multiplicity editing
Sample: ≥ 20 mg
- DEPT-45: CH, CH₂, CH₃ all positive
- DEPT-90: CH only
- DEPT-135: CH and CH₃ up, CH₂ down
Water suppression · Presat
Sample: Aqueous, ~10 mg
- 16–64 scans
HSQC-TOCSY · Spin system tracing
Sample: 50–100 mg
- Standard: 8 scans
- Enhanced: 32 scans
DOSY · Diffusion-ordered
Sample: ~10 mg
- 32–64 scans per gradient step
PS ROESY · Spatial proximity
Sample: ~10 mg
- 16–64 scans
¹⁵N NMR · Nitrogen
Sample: ≥ 50 mg, or ¹⁵N-labelled material
- 128–512 scans
Solvent selection guide
Residual ¹H and ¹³C shifts, polarity, and common use cases. Click any card for details.
CDCl₃ · Non-polar
Best for organic compounds, lipids, non-polar molecules.
¹H: 7.26 ppm · ¹³C: 77.16 ppm (triplet)
DMSO-d₆ · Polar aprotic
Best for sugars, ionic liquids, polar organics, cellulose.
¹H: 2.50 ppm · ¹³C: 39.52 ppm (septet)
CD₃OD · Polar protic
Best for biomolecules, natural products, amino acids.
¹H: 3.31 ppm · ¹³C: 49.00 ppm
D₂O · Water-soluble
Best for proteins, carbohydrates, water-soluble analytes.
¹H residual: 4.79 ppm (H₂O)
Acetone-d₆ · Polar aprotic
Best for ketones, esters, moderately polar compounds.
¹H: 2.05 ppm · ¹³C: 29.84 ppm
TFA-d · Very acidic
Best for basic heterocycles, alkaloids.
¹H: 11–12 ppm · ¹³C: 116.6 ppm
Pyridine-d₅ · Basic
Best for coordination complexes, acid-sensitive samples.
¹H: 8.74 ppm · ¹³C: 150.3 ppm
THF-d₈ · Medium polar
Best for organometallics, air-sensitive samples.
¹H: 1.72 ppm · ¹³C: 67.57 ppm
Benzene-d₆ · Aromatic
Best for hydrocarbons, non-polar organometallics.
¹H: 7.16 ppm · ¹³C: 128.4 ppm
Toluene-d₈ · Aromatic
Best for hydrophobic samples, non-polar polymers.
¹H: 2.09 ppm · ¹³C: 20.4 ppm
Five modules with inline diagrams, an interactive sample preparation simulation, and a 10-question final assessment. Pass at 90% to receive a printable certificate — issued instantly, no waiting.
Your data, delivered automatically
After your experiment completes, data arrives by email within minutes — with a Proton Drive backup for a limited period.
Add data@bcenmr.dk to your safe senders. Data is backed up to Proton Drive for a limited period — always keep your own copy.
MestreNova license
AU license on the iNANO website. Requires AU network or VPN. Recommended for beginners — download and install before your first run.
TopSpin license
Free academic license from bruker.com. Best for advanced processing and viewing raw FID data. Both open Bruker format natively.
Your NMR toolbox
Reference tables, interpretation tools, and video tutorials in one place.
Sample preparation
Practical guidance before loading your sample.
MestreNova walkthrough
Processing data for the first time.
How NMR works
A clean conceptual explainer for onboarding.
Quick answers
The questions every new user asks — answered directly.
How do I get my data after an experiment?
Within 1–2 minutes of completion, an automatic email from data@bcenmr.dk arrives with a download link. Add this address to your safe senders. Data is also backed up to Proton Drive for a limited period — always keep your own copy.
Which software do I use to process my data?
MestreNova (recommended for beginners): download from mestrelab.com; the AU license is on the iNANO website (requires AU network or VPN). TopSpin: free academic license at bruker.com; better for advanced processing and viewing raw FIDs. Both open Bruker format natively.
When can I place a night queue sample?
Night queue samples must be placed after 15:00 only. Earlier placement occupies the changer unnecessarily during day-queue hours. Collect within 1–48 hours of completion.
Can I book the instrument for a specific time?
The queue system is first-come first-served and runs automatically — there is no booking system. Day queue samples run when the changer reaches them. Night queue samples run unattended overnight. For unusual experiments or very long runs, contact Axel first.
Why does ¹³C need so much more sample than ¹H?
¹³C has only 1% natural abundance vs 99.9% for ¹H. Far fewer nuclei are detectable per milligram. SNR scales with √(scans) — doubling SNR requires 4× more scans. Increasing concentration is almost always more efficient.
What is holder #24?
Holder #24 permanently contains the weekly magnet calibration reference sample. It is always reserved and must never be used for submitted samples under any circumstances.
My spectrum looks terrible — broad peaks, poor baseline. Why?
The most common causes: (1) particles or undissolved material — centrifuge or filter; (2) wrong tube size — must be 178 × 5 mm; (3) insufficient sample volume — must be 600 µL; (4) non-deuterated solvent used. Run through the prep checklist before resubmitting.
Which experiments need TopSpin username access?
All experiments submitted through the automated queue require a registered TopSpin username. This is created by Axel after you pass the induction course. The certification email notifies him automatically.
Get in touch
Questions about sample preparation, experiments, software, or access — Axel is glad to help.
Location
Department of Biological and Chemical Engineering
Aarhus University, Gustav Wieds Vej 10, 8000 Aarhus C
Access hours
Automated queue runs 24/7. For in-person instrument access or training, contact Axel to arrange access.
New user onboarding
Complete the online induction course, then email Axel with your certificate. TopSpin username will be created within 1–2 working days.