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. 2022 Jul 18;11(14):2127. doi: 10.3390/foods11142127

Table 2.

List of annotated metabolites in mango fruits using UPLC/MS detected in negative ionization mode and their classes.

Peak No. Rt. (min) [M-H]− Molecular Formula Error (ppm) MS/MS Identification Class
1. 0.15 179.05582 C6H11O6− 4.5 129 Glucose Sugar
2. 0.2 683.2238 C24H43O22− 0.3 341, 179 Unknown tetrasaccharide Sugar
3. 0.23 191.0195 C6H7O7− 4.7 173, 111 Citric/Isocitric acid Organic acid
4. 0.3 683.2238 C24H43O22− 0.3 341, 179 Unknown tetrasaccharide Sugar
5. 0.33 191.0195 C6H7O7− 4.4 173, 111 Citric/Isocitric acid isomer Organic acid
6. 0.44 341.1079 C12H21O11− 0.4 179 Sucrose Sugar
7. 0.5 205.0349 C7H9O7− 2.8 173, 143, 111 Citric acid Methyl ester Organic acid
8. 0.6 331.0660 C13H15O10− 0.07 169, 125 Galloylhexose Gallotannin
9. 0.85 299.0763 C13H15O8− 0.39 239, 209, 179, 137 p-Hydroxybenzoic acid -O-hexoside Phenolic acid
10. 0.93 381.04489 C16H13O11− 321, 263, 233 Unknown
11. 0.96 341.1074 C12H21O11− 1.2 179 Sucrose isomer Sugar
12. 1.83 183.0295 C8H7O5− 3.83 168, 124 Methyl gallate Gallate
13. 1.98 355.1024 C16H19O9− 0.17 193 Ferulic acid-O-hexoside Phenolic acid
14. 2.55 443.1906 C21H31O10− 1.41 425, 281, 263, 237, 219, 189, 161, 143 Unknown glycoside
15. 4.86 355.1023 C16H19O9− 0.08 193 Ferulic acid-O-hexoside isomer Phenolic acid
16. 5.62 421.07544 C19H17O11− −2.04 281 Mangiferin/isomangiferin Xanthone
17. 6.1 385.1856 C19H29O8−
 0.38 223, 205, 161, 153 Unknown glycoside
18. 6.2 335.0399 C15H11O9− 0.66 183 Methyl digallate ester Gallate
19. 6.26 517.2278 C24H37O12− 0.33 385, 205, 168 Sinapic acid-O-hexoside-pentoside Phenolic acid
20. 6.33 433 C20H33O10− 301 Quercetin-O-pentoside Flavonoid
21. 6.36 519.2437 C24H39O12− 0.09 387, 371, 313, 218, 186, 148 Dihydrosinapic acid-O-hexosyl-pentoside Phenolic acid
22. 6.68 443.1906 C21H31O10− 1.2 425, 399, 281, 263, 237, 219, 161, 143 Unknown glycoside
23. 6.88 261 C12H21O6− 243, 201, 187 Unknown
24. 6.91 403.1596 C18H27O10− 0.6 241, 197 Unknown glycoside
25. 7.25 335.0399 C15H11O9− 0.48 183, 124 Methyl digallate ester isomer 1 Gallate
26. 7.29 939.1080 C41H31O26− 1.9 769, 617, 469, 393, 169 Pentagalloyl glucose Gallotannin
27. 7.36 335.0397 C15H11O9− 0.17 183, 124 Methyl digallate ester isomer 2 Gallate
28. 7.47 1091.1172 C48H35O30− 4.3 769, 545, 469 Hexagalloyl glucose Gallotannin
29. 7.56 545 C24H17O15− 469 Unknown malonate conjugate
30. 7.61 1243.1279 C55H39O34− 3.05 839, 621, 545, 469 Heptagalloyl glucose Gallotannin
31. 7.9 487.0502 C22H15O13− 1 335, 183 Methyl trigallate ester Gallate
32. 8.10 477.23242 C22H37O11− −1.29 315 Rhamnetin-O-hexoside Flavonoid
33. 8.22 263.12802 C15H19O4− 0.89 219, 153 Unknown
34. 8.40 463.21704 C21H35O11− −0.752 417, 301 Quercetin-O-hexoside Flavonoid
35. 8.64 245.04451 C13H9O5− −0.235 213, 185 Unknown
36. 8.96 327.21634 C18H31O5− −0.796 291, 229, 211, 171 Unknown
37. 9.07 242.17535 C13H24O3N− 1.158 225, 181 Unknown nitrogenous lipid Oxylipid
38. 9.09 259.06033 C14H11O5− 0.888 231, 187 Unknown
39. 9.77 315.18011 C16H27O6− −0.33 - Rhamnetin Flavonoid
40. 10.10 191.10725 C12H15O2− 3.10 146, 111 Unknown
41. 11.29 569.27112 C39H37O8− 4.36 389, 315, 253 Unknown
42. 11.77 311.16782 C11H27O8− −7.14 183 Unknown oxylipid Oxylipid
43. 11.88 513.30542 C27H45O9− −0.75 277, 253 Unknown oxylipid Oxylipid
44. 12.06 407.21893 C25H31O4− −6.7 153 Unknown
45. 12.1 489.30533 C25H45O9− −0.98 253 Unknown oxylipid Oxylipid
46. 12.2 452.32419 C25H40O7− 0.42 255 Acyl glycerol I Oxylipid
47. 12.3 540.36285 C29H48O9− 0.24 480 Acyl glycerol II Oxylipid