Table 1.
Putatively identified metabolites from positive and negative mode of MS/MS analysis
| Metabolites | Formula | Mass error (ppm) | m/z | Class | Bioactivity | References |
|---|---|---|---|---|---|---|
| Putatively identified metabolites from positive mode of MS/MS analysis | ||||||
| 6-Aminocaproic acid (27) | C6H13NO2 | – 0.05 | 132.1019 | Amino acid | Antifibrinolytic | (Ferreira et al. 2021; Srivastava et al. 2019) |
| Carnitine (28) | C7H15NO3 | – 0.93 | 162.1123 | Amino acid | Fatty acid oxidation for energy conversion | (Ghoran et al. 2021) |
| 2-Decenoic acid (29) | C10H18O2 | – 0.64 | 171.1379 | Fatty acid | Biofilm control | (Tripathi et al. 2019; Kabir et al. 2021) |
| Docosahexaenoic acid (30) | C22H32O2 | – 1.05 | 329.2472 | Fatty acid | Anti-inflammation; cell signalling; cell proliferation | (Hu et al. 2023; Abduljelil et al. 2022) |
| 5,8,11,14-Eicosatetraynoic acid (31) | C20H24O2 | – 1.14 | 297.1846 | Fatty acid | Anti-inflammation; antipyretic | (Palaniveloo and Vairappan 2014) |
| 2,7,12,17-Octadecanetetrol (32) | C18H38O4 | – 1.68 | 319.2838 | Fatty alcohol | ||
| 10,12-Hexadecadienal (33) | C16H28O | – 1.07 | 237.2210 | Fatty aldehyde | ||
| Erucamide (34) | C22H43NO | – 1.55 | 338.3412 | Fatty amide | Acetylcholinesterase inhibitor; antidepressant; antimicrobial | (Vairappan et al. 2004; Kamada and Vairappan 2012; Masuda et al. 1997) |
| Decanophenone (35) | C16H24O | – 0.22 | 233.1899 | Aromatic ketone | ||
| Heptanophenone (36) | C13H18O | – 0.27 | 191.1430 | Aromatic ketone | ||
| Haplamine (37) | C15H15NO3 | – 1.71 | 258.1120 | Pyranoquinoline alkaloid | Cytotoxic; antifungal; antialgal | (Ellman et al. 1961; Aristyawan et al. 2022) |
| N-Benzylformamide (38) | C8H9NO | – 0.28 | 136.0757 | Aromatic formamide | ||
| 11-(2-Hexyl-5-hydroxyphenoxy)-N-(2-hydroxyethyl) undecanamide | C25H43NO4 | – 1.25 | 422.3260 | Phenolic | ||
| 6-Gingerol (39) | C17H26O4 | – 0.99 | 295.1901 | Phenolic | Cytotoxic; analgesic; anti-oxidation; anti-inflammation | (Chang et al. 2023; Zhan et al. 2023; Maran et al. 2021) |
| Paradol (40) | C17H26O3 | – 0.13 | 279.1954 | Phenolic | Cytotoxic; anti-inflammation; neuroprotective; antidiabetic | (Hastings et al. 2016; Davies et al. 2015; Mendez et al. 2019; Sud et al. 2006) |
| Indole-4-carboxaldehyde (41) | C9H7NO | 0.13 | 146.0601 | Indole | Anti-inflammation | (Cheung et al. 2012) |
| 15-Hydroxy-1-[2-(hydroxymethyl)-1-piperidinyl]prost-13-ene-1,9-dione (42) | C26H45NO4 | – 0.57 | 436.3419 | Cyclic ketone | ||
| 8-[3-Oxo-2-(2-penten-1-yl)-1-cyclopenten-1-yl]octanoic acid (43) | C18H28O3 | – 1.15 | 293.2108 | Cyclic ketone | ||
| Jasmone (44) | C11H16O | 0.49 | 165.1275 | Cyclic ketone | Plant-defence activator; anti-inflammation | (Nachon et al. 2013; Khelfaoui et al. 2021) |
| Laurendecumenyne A (45) | C15H21BrO4 | – 0.23 | 345.0695 | Acetogenin | (Vairappan and Tan 2005) | |
| Coronaridine (46) | C21H26N2O2 | – 0.57 | 339.2065 | Alkaloid | Antiparasite; cytotoxic | (Murphy 2015; Brown et al. 2018) |
| ar-Turmerone (47) | C15H20O | 0.21 | 217.1587 | Sesquiterpenoid | Antiplatelet; anti-angiogenesis; cytotoxic; anti-inflammation; anti-depression | (Coleman et al. 2021; Brass 2000; Jennings et al. 2012; Marques et al. 2015) |
| Retinaldehyde (48) | C20H28O | – 1.21 | 285.2210 | Vitamin A | Visual-essential metabolite; antimicrobial; adipogenesis inhibitor | (Niemoller and Bazan 2010; Salem et al. 2001) |
| Abscisic acid (49) | C15H20O4 | 1.89 | 265.1428 | Phytohormone | (Stuhlmeier et al. 1997) | |
| Steroidal compound | C46H78N2O5 | 0.05 | 739.5984 | Steroid | ||
| Steroidal compound | C19H28O3 | – 0.91 | 305.2109 | Steroid | ||
| Steroidal compound | C27H44O | – 1.50 | 385.3459 | Steroid | ||
| Steroidal compound | C27H42 | – 0.72 | 367.3357 | Steroid | ||
| Pentacyclic compound | C48H82N2O5 | – 0.41 | 767.6293 | Triterpenoid | ||
| Putatively identified metabolites from negative mode of MS/MS analysis | ||||||
| 15-oxo-11,13-Eicosadienoic acid (50) | C20H34O3 | 0.32 | 321.2436 | Fatty acid | ||
| 16-Hydroxypalmitic acid (51) | C16H32O3 | 0.02 | 271.2279 | Fatty acid | ||
| 2-Hydroxymyristic acid (52) | C14H28O3 | – 0.58 | 243.1964 | Fatty acid | Antiviral | (Li et al. 2017) |
| 9,12,13-Trihydroxy-15-octadecenoic acid (53) | C18H34O5 | 0.99 | 329.2337 | Fatty acid | ||
| Oleic Acid (54) | C18H34O2 | – 1.76 | 281.2481 | Fatty acid | Antidiabetic; anti-inflammation | (Kim et al. 2018; Xie et al. 2021) |
| Palmitic Acid (55) | C16H32O2 | – 1.24 | 255.2326 | Fatty acid | Antitumor; pro-inflammation; pro-apoptotic | (Cantrell et al. 2005; Ea et al. 2008; Dugasani et al. 2010) |
| 3,5-Dibromo-4-hydroxybenzoic acid (56) | C7H4Br2O3 | 0.26 | 292.8455 | Phenolic | ||