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MB Sample ID: SA217544
| Local Sample ID: | Untreated_01 |
| Subject ID: | SU002353 |
| Subject Type: | Food item |
Select appropriate tab below to view additional metadata details:
Subject:
| Subject ID: | SU002353 |
| Subject Type: | Food item |
Factors:
| Local Sample ID | MB Sample ID | Factor Level ID | Level Value | Factor Name |
|---|---|---|---|---|
| Untreated_01 | SA217544 | FL026418 | untreated | Group |
Collection:
| Collection ID: | CO002346 |
| Collection Summary: | After alcoholic fermentation, the wine was bottled in glass bottles (750 mL) under four different conditions: i) without preservation treatment (2 bottles); ii) addition of 40 mg/L of free SO2 (4 bottles); addition of iii) a Ch-Ge film with 100 cm2 surface area (5 bottles) and iv) a Ch-Ge film with 25 cm2 surface area (3 bottles). All wine samples were stored in the absence of light at 10-15 ºC, for 12 months. After opening the bottles, the wine samples were immediately prepared for NMR analysis. |
| Sample Type: | Wine |
Treatment:
| Treatment ID: | TR002365 |
| Treatment Summary: | Not applicable |
Sample Preparation:
| Sampleprep ID: | SP002359 |
| Sampleprep Summary: | 100 µL of 1 M potassium phosphate (KH2PO4), with 0.1% sodium salt of 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid (TSP-d4, chemical shift reference) in D2O were added to 900 µL of wine. The wine samples pH (originally ca. pH 3.5) was adjusted to 3.0 ± 0.03 by adding 5% (v/v) HCl in D2O, and 600 µL of the mixture were transferred into 5 mm NMR tubes. |
| Processing Method: | None |
| Sample Resuspension: | None |
| Sample Spiking: | 0.1% sodium salt of 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid (TSP-d4), as a chemical shift reference |
Analysis:
| MB Sample ID: | SA217544 |
| Analysis ID: | AN003704 |
| Laboratory Name: | Metabolomics group |
| Analysis Type: | NMR |
| Operator Name: | Joao A. Rodrigues |
NMR:
| NMR ID: | NM000247 |
| Analysis ID: | AN003704 |
| Instrument Name: | Bruker AVANCE III 500 spectrometer |
| Instrument Type: | FT-NMR |
| NMR Experiment Type: | 1D-1H |
| Spectrometer Frequency: | 500 MHz |
| NMR Probe: | TXI probe |
| NMR Solvent: | 90% H2O/ 10% D2O |
| NMR Tube Size: | 5 mm NMR tubes |
| Shimming Method: | Topshim |
| Pulse Sequence: | noesypr1d |
| Water Suppression: | presat |
| Pulse Width: | 90-degree |
| Temperature: | 300 K |
| Number Of Scans: | 128 |
| Dummy Scans: | 16 |
| Acquisition Time: | 3.3 s |
| Relaxation Delay: | 2 s |
| Num Data Points Acquired: | 32 k |
| Line Broadening: | 0.3 Hz |
| Zero Filling: | 64 k |
| Baseline Correction Method: | manual |
| Chemical Shift Ref Std: | 0 ppm for TSP-d4 |
| NMR Results File: | 4_Wine_processed_data.txt UNITS:ppm |
