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Polysaccharide / carbohydrate polyol material

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№ результата: 20260114194206029143201 Владелец: publicuser Комментарии: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20260114194206029143201 Date: Reported by: FTIR.fun Contact: [email protected]

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Top15

Similarity-ranked Top-15 library comparison

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Top 15 candidates

Reference library candidates

Rank Match % Compound Name Formula / SMILES Library preview Action
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Based on the library matches and evidence above.

Conclusion

Polysaccharide / carbohydrate polyol material

General assessment
Общая уверенность
#2057 Current rank 1
Conclusion
  1. Library Top‑1 match (trisaccharide, similarity 0.918) strongly aligns with the observed carbohydrate pattern.
  2. The band at 1024 cm⁻¹ is attributed to C–O ring stretching typical of polysaccharides.
  3. The peak at 1159 cm⁻¹ arises from the asymmetric C–O–C glycosidic bridge, a hallmark of carbohydrate polymers.
Evidence & interpretation
Evidence

Key evidence

Основное совпадение из библиотеки
(2R,3R,4S,5S,6R)-2-[(2S,3S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol #2057
Limitations

Evidence that limits the conclusion

  • Direct literature assignments attribute the 1024 cm⁻¹ band to phosphate [2], the 1159 cm⁻¹ band to aromatic [7], and the 1424 cm⁻¹ band to N–H [3], which are not conventional for pure sugars; however, the overall pattern argues against a dominant phosphate or aromatic component.
  • The 875 cm⁻¹ band is reported as carbonate [5], which is not typical for simple carbohydrates.
  • Although the polysaccharide fingerprint is clear, the conflicting peak assignments suggest the presence of minor contaminants (e.g., protein, phosphate, or inorganic carbonate) or that some bands have been misinterpreted; the exact molecular identity beyond a polyol class cannot be firmly established from FTIR alone.
  • The library‑retrieved trisaccharide is one possible match, but the presence of amide/amine and phosphate markers makes it uncertain.
Recommendation

Suggested next verification

  • Complementary techniques such as NMR, mass spectrometry, or phosphate/protein assays are recommended to resolve the composition.
  • If the sample is of biological origin, enzymatic digestion or specific staining could clarify the presence of non‑carbohydrate components.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 ★ 1024 1.00 Назначение, подтвержденное литературой Полоса на 1024 cm-1 отнесена к C–O stretching in polysaccharide ring[5]. [5] Уверенность LLM
2 ★ 875 0.40 Назначение, подтвержденное литературой Полоса на 875 cm-1 отнесена к carbohydrate[1]. [1] Уверенность LLM
3 ★ 1159 0.33 Назначение, подтвержденное литературой Полоса на 1159 cm-1 отнесена к asymmetric C–O–C stretching (glycosidic bridge)[5]. [5] Уверенность LLM
4 ★ 1424 0.29 Назначение, подтвержденное литературой Полоса на 1424 cm-1 отнесена к CH₂ bending (C6 scissoring)[5][6]. [5], [6] Уверенность LLM
5 · 3291 0.27 - - - -
6 ★ 1316 0.25 Назначение, подтвержденное литературой Полоса на 1316 cm-1 отнесена к CH₂ wagging[5]. [5] Уверенность LLM
7 ★ 2918 0.18 Назначение, подтвержденное литературой Полоса на 2918 cm-1 отнесена к alkyl C-H vibration[7]. [7] Общая уверенность
Literature

References

No. Title DOI Page
[1] Raju 等 - 2023 - Isolation and characterization of nanocellulose fr 10.1038/s41598-022-26600-5 -
[2] Chen 等 - 2015 - Discrimination and similarity evaluation of tissue 10.1016/j.molstruc.2015.01.027 11
[3] Asfaw 等 - 2023 - Optimization of citron peel pectin and glycerol C-O 10.1016/j.heliyon.2023.e13724 8
[4] Kebukawa 等 - 2017 - Characterization of carbonaceous matter in xenolit - 61
[5] Chua 等 - 2020 - Cellulose-based polymer electrolyte derived from w 10.1007/s10965-020-02110-8 5
[6] Kasyapi 等 - 2013 - Bionanowhiskers from jute Preparation and charact 10.1016/j.carbpol.2012.10.021 3
[7] Verma 等 - 2022 - Synthesis of N-Benzylideneaniline by Schiff base r 10.1038/s41598-022-13360-5 4
[8] Ashri 等 - 2018 - Modified Dioscorea hispida starch-based hydrogels 10.1016/j.ijbiomac.2017.10.125 7
Appendix

Sample information and raw spectrum

Original uploaded spectrum for reference and verification.

Baseline correction method: Asymmetric Least Squares Smoothing

The wavelength range for analysis(cm-1): N/A

Raw spectrum without baseline correction or other processing:

Sample spectrum image
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