Multipronged Approach to Profiling Metabolites in Beta vulgaris L. Dried Pulp Extracts Using Chromatography, NMR and Other Spectroscopy Methods
Abstract
:1. Introduction
2. Materials and Methods
2.1. Chemicals and Reagents
2.2. Sample Preparation
2.3. Extraction
2.4. Instrumental Analysis
3. Results and Discussion
3.1. Extraction
3.2. Aqueous (polar) Phase
3.3. Organic Phase
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Compound | Molecular Formula | Measured [M + H]+ (m/z) | Measured Rt (min) | Standard [M + H]+ (m/z) | Rt (min) of Standard | Confirmed by NMR |
---|---|---|---|---|---|---|
Lysine | C6H14N2O2 | 147.1131 | 0.58 | 147.1126 | NA | No |
Histidine | C6H9N3O2 | 156.0771 | 0.61 | 156.0765 | 0.61 | No |
Arginine | C6H14N4O2 | 175.1193 | 0.64 | N/A | NA | No |
Threonine | C4H9NO3 | 120.0659 | 0.68 | N/A | NA | No |
Glutamic acid | C5H9NO4 | 148.0606 | 0.68 | N/A | NA | No |
Valine | C5H11NO2 | 118.0867 | 0.71 | N/A | NA | Yes |
Proline | C5H9NO2 | 116.0710 | 0.77 | N/A | NA | No |
Sucrose | C12H22O11 | 343.1239 | 0.98 | 343.1229 | 0.98 | Yes |
Glucose | C6H12O6 | 181.0710 | 0.77 | N/A | NA | Yes |
Methionine | C5H11NO2S | 150.0587 | 1.25 | N/A | NA | No |
Leucine | C6H13NO2 | 132.1022 | 2.53 | 132.1018 | 2.49 | Yes |
Isoleucine | C6H13NO2 | 132.1023 | 2.68 | N/A | NA | Yes |
Tyrosine | C9H11NO3 | 182.0816 | 2.68 | N/A | NA | No |
Betacyanin | C24H26N2O13 | 551.1520 | 2.96 | N/A | NA | Yes |
Phenylalanine | C9H11NO2 | 166.0867 | 3.02 | 166.0860 | 3.02 | No |
Tryptophan | C11H12N2O2 | 205.0975 | 3.48 | N/A | NA | No |
Riboflavin | C17H20N4O6 | 377.1442 | 3.85 | N/A | NA | No |
Betaxanthin | C18H18N2O6 | 359.1247 | 4.11 | N/A | NA | Yes |
Theanine | C7H14N2O3 | 175.1078 | 13.82 | N/A | NA | No |
Label | RT (min) | Base Peak S/N Ratio | Base Peak Area | Compound Name | Formula | Match/Similarity Score (%) |
---|---|---|---|---|---|---|
I | 8.41 | 9.73 × 102 | 6.15 × 106 | Hexadecanoic acid, methyl ester | C17H34O2 | 93.9 |
II | 9.33 | 3.88 × 101 | 2.69 × 105 | 3-Methylbenzoic acid, 2,5-dichlorophenyl ester | C14H10Cl2O2 | 88.7 |
III | 9.93 | 1.0 × 103 | 2.69 × 106 | Methyl stearate | C19H38O2 | 96.5 |
IV | 10.03 | 2.35 × 102 | 7.04 × 105 | 9-Octadecenoic acid, methyl ester, (E)- | C19H36O2 | 90.7 |
V | 10.36 | 3.42 × 102 | 3.70 × 106 | 9,12-Octadecadienoic acid (Z,Z)-, methyl ester | C19H34O2 | 91.9 |
VI | 10.85 | 3.08 × 102 | 6.45 × 105 | 9,12,15-Octadecatrienoic acid, methyl ester, (Z,Z,Z)- | C19H32O2 | 96.4 |
VII | 11.99 | 3.58 × 103 | 2.42 × 107 | Dibutyl phthalate | C16H22O4 | 91.4 |
VIII | 12.59 | 6.44 × 101 | 1.04 × 106 | Pentacosane | C25H52 | 91.7 |
IX | 13.74 | 1.66 × 102 | 1.57 × 106 | n-Hexadecanoic acid | C16H32O2 | 92.7 |
X | 14.77 | 4.59 × 101 | 1.07 × 106 | Octacosane | C28H58 | 90.1 |
XI | 16.95 | 8.14 × 101 | 1.31 × 106 | Octadecanoic acid | C18H36O2 | 92.6 |
XII | 19.46 | 2.31 × 102 | 4.92 × 105 | 3,5-di-tert-Butyl-4-hydroxyphenylpropionic acid | C17H26O3 | 90.0 |
XIII | 21.21 | 1.50 × 102 | 1.02 × 106 | Oxybis(propane-1,2-diyl) dibenzoate | C20H22O5 | 90.7 |
XIV | 23.14 | 2.38 × 102 | 1.20 × 106 | Diethylene glycol dibenzoate | C18H18O5 | 97.2 |
XV | 23.94 | 1.87 × 102 | 3.80 × 105 | Dehydroabietic acid | C20H28O2 | 88.1 |
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Fiadorwu, J.; Subedi, K.; Todd, D.; Basti, M.M. Multipronged Approach to Profiling Metabolites in Beta vulgaris L. Dried Pulp Extracts Using Chromatography, NMR and Other Spectroscopy Methods. Foods 2023, 12, 3510. https://doi.org/10.3390/foods12183510
Fiadorwu J, Subedi K, Todd D, Basti MM. Multipronged Approach to Profiling Metabolites in Beta vulgaris L. Dried Pulp Extracts Using Chromatography, NMR and Other Spectroscopy Methods. Foods. 2023; 12(18):3510. https://doi.org/10.3390/foods12183510
Chicago/Turabian StyleFiadorwu, Joshua, Kiran Subedi, Daniel Todd, and Mufeed M. Basti. 2023. "Multipronged Approach to Profiling Metabolites in Beta vulgaris L. Dried Pulp Extracts Using Chromatography, NMR and Other Spectroscopy Methods" Foods 12, no. 18: 3510. https://doi.org/10.3390/foods12183510