Disaccharide (sucrose) with possible aromatic amine and phosphate contaminants
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Disaccharide (sucrose) with possible aromatic amine and phosphate contaminants
Sample & Measurement Parameters
Identification Result
79%The sample spectrum is dominated by strong hydroxyl/amine stretching around 3338 cm⁻¹ and a series of bands in the 1000–1100 cm⁻¹ region indicative of C-O stretching, consistent with a carbohydrate-rich material such as sucrose. Additional features suggest the presence of aromatic and amine functionalities, possibly from a minor nitrogen-containing component or contamination. The overall chemical profile is most consistent with a disaccharide (sucrose) with aromatic amine impurities, but the evidence does not fully resolve the exact composition FTIR In-Depth Interpretation was not selected for this task, so this section shows the library-search result only and no deep AI interpretation was run.
Detailed interpretation
- Top library match: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol #20382
- The reference library comparison's supporting groups include aromatic, secondary amine, and nitrogen heterocycle, which are not consistent with pure sucrose and indicate the presence of amine/aromatic contaminants or a misidentified library spectrum.
- The phosphate and sulfoxide groups detected by analogical literature are not expected in sucrose and may arise from an additive.
- The exact identity remains uncertain due to conflicting evidence between the library's sucrose identification and the spectral features suggesting aromatic amine and phosphate groups.
- The library match confidence is moderate (0.591), and the Top-15 library pattern is sparse.
- The presence of multiple functional groups not typical of pure sucrose complicates the definitive identification; a mixture or a misassigned library spectrum cannot be ruled out.
Library Comparison
Library Search Results — Top 15 Candidates
| Rank | Match % | Compound | SMILES | Spectrum No. | Action |
|---|---|---|---|---|---|
| Loading library candidates... | |||||
Peak Analysis
★ = Literature-supported assignment| # | Wavenumber (cm⁻¹) | Absorbance | Assignment | Citation | Assignment status | |
|---|---|---|---|---|---|---|
| 1 | · | 3338 | 1.00 | - | - | - |
| 2 | · | 3370 | 0.96 | - | - | - |
| 3 | · | 3409 | 0.75 | - | - | - |
| 4 | · | 3320 | 0.75 | - | - | - |
| 5 | · | 1036 | 0.72 | - | - | - |
| 6 | · | 3309 | 0.69 | - | - | - |
| 7 | · | 3419 | 0.69 | - | - | - |
| 8 | · | 1010 | 0.51 | - | - | - |
| 9 | · | 992 | 0.46 | - | - | - |
| 10 | · | 1001 | 0.44 | - | - | - |
| 11 | · | 983 | 0.38 | - | - | - |
| 12 | · | 1098 | 0.33 | - | - | - |
| 13 | · | 1413 | 0.15 | - | - | - |
| 14 | · | 2922 | 0.15 | - | - | - |
| 15 | · | 915 | 0.14 | - | - | - |
Appendix — Raw Spectrum
Comments and follow-up evidence
Use this area to continue the interpretation, ask questions, or add extra verification evidence.