1 |
1.71 |
Gluconic acid |
195.05 |
195.05 129.07 177.1 159.07 99.07 |
197.08 |
197.08 179.09 135.10 |
Felipe et al. (2014)Felipe, D.F., Brambilla, L.Z.S., Porto, C., Pilau, E.J., Cortez, D.A.G., 2014. Phytochemical analysis of Pfaffia glomerata inflorescences by LC-ESI-MS/MS. Molecules 19, 15720-15734.
|
2 |
1.89 |
Quinic acid |
191.02 |
191.02 111.08 173.04 |
193.05 |
193.05 175.01 161.11 147.04 133.03 |
|
3 |
22.23 |
Chlorogenic acid |
353.09 |
353.09 191.11 269.21 293.2 179.19 |
355.12 |
355.10 337.19 193.06 201.04 267.01 |
Martucci et al. (2014)Martucci, M.E.P., De Vos, R.C.H., Carollo, C.A., Gobbo-Neto, L., 2014. Metabolomics as chemotaxonomical tool: application in the genus Vernonia Schreb. PLOS ONE 9, e93149.
|
4 |
30.34 |
Kaempferol-O-glucoside |
447.09 |
447.09 285.14 (M−H-hex) 325.21 327.21 |
449.11 |
449.11 287.11 |
Rodrigo et al. (1992)Rodrigo, M., Lazaro, M.J., Alvarruiz, A., Giner, V., 1992. Composition of capers (Capparis spinosa): influence of cultivar, size and harvest date. J. Food Sci. 57, 1152-1154.
|
5 |
45.23 |
Quercetin-O-glucoside |
463.09 |
463.09 301.19 (M−H-hex) 343.16 (M−H-120) |
465.10 |
465.10 303.10 287.13 |
Martucci et al. (2014)Martucci, M.E.P., De Vos, R.C.H., Carollo, C.A., Gobbo-Neto, L., 2014. Metabolomics as chemotaxonomical tool: application in the genus Vernonia Schreb. PLOS ONE 9, e93149.
|
6 |
33.31 |
p-Coumaroyl quinic acid |
337.06 |
337.06 191.16 179.15 135.22 293.2 |
339.10 |
339.10 320.22 293.14 279.11 206.18 176.16 130.1 |
Martucci et al. (2014)Martucci, M.E.P., De Vos, R.C.H., Carollo, C.A., Gobbo-Neto, L., 2014. Metabolomics as chemotaxonomical tool: application in the genus Vernonia Schreb. PLOS ONE 9, e93149.
|
7 |
33.81 |
Quercetin tetrahexoside |
949.24 |
949.24 625.30 (M−H-dihexose) 301.16 (M−H-tetrahexose) 787.40 (M−H-hexose) 463.25 (M−H-trihexose) |
951.26 |
951.26 931.43 789.24 (−162) 627.34 (−162) 465.23 (−162) 303.19 (−162) |
|
8 |
34.97 |
Quercetin trihexoside |
787.3 |
787.3 621.29 625.39 (M−H-hexose) 463.31 (M−H-dihexose) 301.24 (M−H-trihexose) |
789.23 |
789.23 303.14 627.23 (M+H-hex) 465.17 (M+H-dihex) |
Qu et al. (2013)Qu, C., Fu, F., Lu, K., Zhang, K., Wang, R., Xu, X., Wang, M., Lu, J., Wan, H., Zhanglin, T., Li, J., 2013. Differential accumulation of phenolic compounds and expression of related genes in black- and yellow-seeded Brassica napus. J. Exp. Bot. 64, 2885-2898.
|
9 |
35.43 |
Epigallocatechin hexoside |
467.12 |
467.12 305.24 |
469.17 |
469.17 307.02 435.91 169.07 144.05 289.24 |
|
10 |
35.81 |
Quercetin rhamnoside hexoside |
609.15 |
609.15 301.21 (M−H-Rh-hex) 447.28 (M−H-hex) 549.28 271.21 255.09 179.1 |
611.16 |
611.16 303.12 (M+H-rh-hex) 465.06 (M+H-rh) |
Falé et al. (2013)Falé, P.L., Ferreira, C., Rodrigues, A.M., Cleto, P., Madeira, P.J.A., Florêncio, M.H., Frazão, F.N., Serralheiro, M.L.M., 2013. Antioxidant and anti-acetylcholinesterase activity of commercially available medicinal infusions after in vitro gastrointestinal digestion. J. Med. Plants Res. 7, 1370-1378.
|
11 |
36.20 |
Quercetin trihexoside rhamnoside |
933.25 |
933.25 609.28 (M−H-dihex) 301.17 (609-rh-hex) |
935.26 |
935.26 789.1 (M+H-rh) 627.09 (M+H-rh-hex) 465.16 (M+H-rh-dihex) 303.13 (M+H-rh-trihex) |
|
12 |
36.73 |
Acacetin hexoside |
445.21 |
445.21 385.27 283.19 |
447.23 |
447.23 225.04 386.94 429.25 207.15 189.23 |
Lin and Harnly (2010)Lin, L.Z., Harnly, J.M., 2010. Identification of the phenolic components of chrysanthemum flower (Chrysanthemum morifolium Ramat). Food Chem. 120, 319-326.
|
13 |
54.70 |
Kaempferol |
285.04 |
285.04 255.11 241.22 229.18 213.13 163.2 151.13 96.97 |
287.08 |
287.08 241.11 269.19 213.07 164.99 152.99 133.05 121.05 |
Martucci et al. (2014)Martucci, M.E.P., De Vos, R.C.H., Carollo, C.A., Gobbo-Neto, L., 2014. Metabolomics as chemotaxonomical tool: application in the genus Vernonia Schreb. PLOS ONE 9, e93149.
|
14 |
39.17 |
Eriodictyol hexoside |
449.11 |
449.11 287.15 (M−H-hex) 387.28 281.23 151.09 137.15 |
451.12 |
451.12 289.15 (M+H-hex) 433.22 268.08 |
Zhao et al. (2013)Zhao, H.-Y., Fan, M.-X., Wu, X., Wang, H.-J., Yang, J., Si, N., Bian, B.-L., 2013. Chemical profiling of the Chinese herb formula Xiao-Cheng-Qi decoction using Liquid Chromatography coupled with Electrospray Ionization Mass Spectrometry. J. Chromatogr. Sci. 51, 273-285.
|
15 |
39.38 |
Isorhamnerin hexoside rutinoside |
785.11 |
785.11 623.28 (−M−H-hex) 315.12 (M−H-hex-rh-hex) |
787.23 |
787.23 317.21 (M+H-rh-dihex) 641.13 (M+H-rh) 479.15 (M+H-rh-hex) |
Kim and Park (2009)Kim, H., Park, S.H., 2009. Metabolic profiling and discrimination of two cacti cultivated in Korea using HPLC-ESI-MS and multivariate statistical analysis. J. Korean Soc. Appl. Biol. Chem. 52, 346-352.
|
16 |
40.23 |
Eriodictyol-7-O-rutinoside |
595.17 |
595.17 287.11 (M−H-rutinose) |
597.18 |
597.18 435.08 (M+H-hex) 289.14 (M+H-hex-rh) 577.26 451.07 399.2 |
Zhao et al. (2013)Zhao, H.-Y., Fan, M.-X., Wu, X., Wang, H.-J., Yang, J., Si, N., Bian, B.-L., 2013. Chemical profiling of the Chinese herb formula Xiao-Cheng-Qi decoction using Liquid Chromatography coupled with Electrospray Ionization Mass Spectrometry. J. Chromatogr. Sci. 51, 273-285.
|
17 |
40.27 |
Eriodictyol |
287.06 |
287.06 151.08 125.18 135.07 |
289.07 |
289.07 163 271.13 152.98 179.03 143.96 |
Zhao et al. (2013)Zhao, H.-Y., Fan, M.-X., Wu, X., Wang, H.-J., Yang, J., Si, N., Bian, B.-L., 2013. Chemical profiling of the Chinese herb formula Xiao-Cheng-Qi decoction using Liquid Chromatography coupled with Electrospray Ionization Mass Spectrometry. J. Chromatogr. Sci. 51, 273-285.
|
18 |
41.5 |
Eriodictyol glucuronide |
463.09 |
463.09 287.18 301.17 403.23 311.26 175.09 151.09 |
|
|
Li et al. (2012)Li, F., Zhang, L.D., Li, B.C., Yang, J., Yu, H., Wan, J.B., Wang, Y.T., Li, P., 2012. Screening of free radical scavengers from Erigeron breviscapus using on-line HPLC-ABTS/DPPH based assay and mass spectrometer detection. Free Radic. Res. 46, 286-294.
|
19 |
43.21 |
Quercetin glucoside-O-rutinoside |
771.2 |
771.2 609.15 (-hex) 463.21 (-rh) 301.26 (-rh) |
773.21 |
773.21 465.18 611.10 303.14 627.15 |
Sharaf et al. (2000)Sharaf, M., El-Ansari, M.A., Saleh, N.A., 2000. Quercetin triglycoside from Capparis spinosa. Fitoterapia 71, 46-49.
|
20 |
43.91 |
Quercetin dirhamnoside hexoside |
755.2 |
755.2 593.3 (-hex) 447.1 (-rh) 301.2 (-rh) 271.21 |
757.22 |
757.22 624.16 595.37 611.16 449.24 303.14 287.21 |
|
21 |
44.62 |
Myricetin rutinoside |
625.14 |
625.14 316.1 317.16 (M−H-rh-hex) 285.12 271.20 479.20 (M−H-rh) 607.26 179.08 |
62.16 |
627.16 319.12 (M+H-rh-hex) 464.22 481.11 (M+H-rh) |
Sójka et al. (2009)Sójka, M., Guyot, S., Kołodziejczyk, K., Król, B., Baron, A., 2009. Composition and properties of purified phenolics preparations obtained from an extract of industrial blackcurrant (Ribes nigrum L.) pomace. J. Hortic. Sci. Biotechnol., 100-106 (ISAFRUIT Special issue).
|
22 |
44.82 |
Cirsimaritin hexoside rhamnoside |
621.15 |
621.15 313.15 (M−H-rh-hex) 285.2 257.3 |
623.16 |
623.16 477.09 (M+H-rh) 315.11 (M+H-162) |
|
23 |
59.85 |
Isorhamnetin hexoside |
477.27 |
477.27 315.34 (M−H-hex) |
479.12 |
479.12 317.09 (M+H-hex) 301.15 360.86 419.93 459.27 |
|
24 |
45.53 |
Isorhamnetin dihexoside dirhamnoside |
931.27 |
931.27 767.38 (M−H-hex) 621.35 (M−H-hex-rh) 315.19 300.08 357.35 785.40 |
933.29 |
933.29 317.21 (M+H-dirh-dihex) 914.45 771.29 (M+H-hex) 769.29 625.22 (M+H-hex-rh) 463.2 (M+H-rh-dihex) |
|
25 |
46.75 |
Gallocatechin |
305.07 |
305.07 290.23 97.01 225.13 275.22 259.21 |
307.11 |
307.11 130.06 289.18 262.15 242.16 204 307.13 265.16 289.20 247.17 178.12 144.11 |
Hossain et al. (2010)Hossain, M., Dilip, K., Brunton, N., Martin-Diana, A., Barry-Ryan, C., 2010. Characterization of phenolic composition in Lamiaceae spices by LC-ESI-MS/MS. J. Agric. Food Chem. 58, 10576-10581.
|
26 |
47.64 |
Quercetin |
301.04 |
301.04 271.15 255.15 257.22 179.15 151.1 229.93 |
303.04 |
303.04 285.05 302.85 |
Martucci et al. (2014)Martucci, M.E.P., De Vos, R.C.H., Carollo, C.A., Gobbo-Neto, L., 2014. Metabolomics as chemotaxonomical tool: application in the genus Vernonia Schreb. PLOS ONE 9, e93149.
|
27 |
47.9 |
Quercetin-3-O-hexose-O-pentoside |
595.13 |
595.13 301.16 (M−H-hex-pen) 285.14 271.22 433.43 (M−H-hex) 463.27 191.16 179.13 |
597.15 |
597.15 303.12 (M+H-pen-hex) 287.12 465.10 (M+H-pen) 449.11 |
Martucci et al. (2014)Martucci, M.E.P., De Vos, R.C.H., Carollo, C.A., Gobbo-Neto, L., 2014. Metabolomics as chemotaxonomical tool: application in the genus Vernonia Schreb. PLOS ONE 9, e93149.
|
28 |
48.19 |
Kaempferol hexoside dirhamnoside |
739.21 |
739.21 575.3 649.43 429.29 284.18 255.1 |
741.22 |
741.22 595.05 (M+H-rh) 449.07 (M+H-dirh) 287.13 (M+H-dirh-hex) |
Rodrigo et al. (1992)Rodrigo, M., Lazaro, M.J., Alvarruiz, A., Giner, V., 1992. Composition of capers (Capparis spinosa): influence of cultivar, size and harvest date. J. Food Sci. 57, 1152-1154.
|
29 |
48.50 |
Apigenin 8C-glucoside |
431.1 |
431.1 311.22 (M−H-120) 341.18 (M−H-90) 413.21 312.18 |
433.11 |
433.11 415.23 313.16 (M+H-120) 397.23 367.18 271.16 (M+H-hex) |
Abad-García et al. (2008)Abad-García, B., Garmón-Lobato, S., Berrueta, L.A., Gallo, B., Vicente, F., 2008. New features on the fragmentation and differentiation of C-glycosidic flavone isomers by positive electrospray ionization and triple quadrupole mass spectrometry. Rapid Commun. Mass Spectrom. 22, 1834-1842.
|
30 |
49.05 |
Kaempferol hexoside rhamnoside |
593.15 |
593.15 285.21 (M−H-308) 473.24 (M−H-120) 503.24 (M−H-90) |
595.16 |
595.16 287.05 (M+H-rh-hex) 449.11 (M+H-rh) 576.38 431.24 |
Ferreres et al. (2011)Ferreres, F., Gil-Izquierdo, A., Valentão, P., Andrade, P.B., 2011. Structural characterization of phenolics and betacyanins in Gomphrena globosa by high performance liquid chromatography diode array detection/electrospray ionization multi-stage mass spectrometry. Rapid Commun. Mass Spectrom. 25, 3441-3446.
|
31 |
49.36 |
Isorhamnetin 3-O rutinoside |
623.16 |
623.16 315.22 (-rutinose) 314.15 459.2 460.38 503.14 (−120) |
625.18 |
625.18 317.12 (M+H-rh-hex) 479.02 (M+H-rh) |
Roriz et al. (2014)Roriz, C.L., Barros, L., Carvalho, A.M., Santos-Buelga, C., Ferreira, I.C.F.R., 2014. Pterospartum tridentatum,Gomphrena globosa and Cymbopogon citratus: a phytochemical study focused on antioxidant compounds. Food Res. Int. 62, 684-693.
|
32 |
50.00 |
Quercetin dihexoside |
625.14 |
625.14 301.2 (M−H-dihex) 463.14 (M−H-hex) 285.26 271.2 |
627.16 |
627.16 465.11 (M+H-hex) 303.10 (M+H-dihex) |
Tedesco et al. (2015)Tedesco, I., Carbone, V., Spagnuolo, C., Minasi, P., Russo, G.L., 2015. Identification and quantification of flavonoids from two Southern Italy cultivars of Allium cepa L. var. tropea (red onion) and Montoro (copper onion) and their capacity to protect human erythrocytes from oxidative stress. J. Agric. Food Chem. 63, 5229-5238.
|
33 |
51.22 |
Kaempferol glucuronide |
461.07 |
461.07 285.18 381.27 |
463.09 |
463.09 343.14 427.21 299.11 268.23 |
Martucci et al. (2014)Martucci, M.E.P., De Vos, R.C.H., Carollo, C.A., Gobbo-Neto, L., 2014. Metabolomics as chemotaxonomical tool: application in the genus Vernonia Schreb. PLOS ONE 9, e93149.
|
34 |
51.90 |
Quercetin tetrahexoside rhamnoside |
1095.29 |
1095.29 609.3 (rutin) 787.28 (M−H-hex-rh) 483.2 933.44 (M−H-hex) 302.33 |
1097.32 |
1097.32 627.19 (M+H-rh-dihex) 936.39 (M+H-hex) 773.31 (M+H-dihex) 465.11 (M+H-trihex-rh) 303.07 (M+H-tetrahex-rh) 449.19 (Q-rh) 611.09 (rutin) 787.39 |
|
35 |
54.13 |
Isorhamnetin |
315.1 |
315.1 271.2 285.18 287.11 300.11 |
317.07 |
317.07 302.09 285.1 271.13 257.12 165.07 139.02 |
Sánchez-Rabaneda et al. (2004)Sánchez-Rabaneda, F., Jáuregui, O., Lamuela-Raventós, R.M., Viladomat, F., Bastida, J., Codina, C., 2004. Qualitative analysis of phenolic compounds in apple pomace using liquid chromatography coupled to mass spectrometry in tandem mode. Rapid Commun. Mass Spectrom. 18, 553-563.
|
36 |
54.24 |
Kaempferol rutinoside hexoside |
755.2 |
755.2 285.15 (M−H-hex-rh) 593.32 (M−H-hex) |
757.22 |
757.22 449.12 (M+H-hex-rh) 595.15 (M+H-hex) 611.10 (M+H-rh) 287.09 (M+H-trihex-rh) |
|
37 |
54.49 |
Myricetin hexoside rutinoside |
787.17 |
787.17 625.24 (M−H-hex) 479.23 (M−H-hex-rh) 317.21 (M−H-dihex-rh) |
789.19 |
789.19 481.14 (M+H-hex-rh) 319.2 (M+H-dihex-rh) |
|
38 |
55.18 |
Isorhamnetin glucuronide |
491.08 |
491.08 315.20 |
493.1 |
493.1 317.16 |
Dueñas et al. (2008)Dueñas, M., Mingo-Chornet, H., Pérez-Alonso, J.J., Paola-Naranjo, R.D., González-Paramás, A.M., Santos-Buelga, C., 2008. Preparation of quercetin glucuronides and characterization by HPLC–DAD–ESI/MS. Eur. Food Res. Technol. 227, 1069-1076.
|
39 |
55.47 |
Quercetin acetyl hexoside |
505.13 |
505.13 353.29 459.29 485.31 323.24 301.20 151.03 179.12 191.09 |
|
|
Navarro-González et al. (2015)Navarro-González, I., González-Barrio, R., García-Valverde, V., Bautista-Ortín, A.B., Periago, M.J., 2015. Nutritional composition and antioxidant capacity in edible flowers: characterisation of phenolic compounds by HPLC-DAD-ESI/MSn. Int. J. Mol. Sci. 16, 805-822.
|
40 |
58.05 |
Quercetin dihexoside dirhamnoside |
917.23 |
917.23 609.31 (M−H-308) 301.16 (M-H-308) |
919.27 |
919.27 611.14 (M+H-308) 465.15 (M+H-rh) 449.16 303.19 (M+H-hex) |
|
41 |
60.68 |
Myricetin hexoside |
479.16 |
479.16 317.18 (M−H-hex) 273.18 258.29 447.31 461.34 389.12 (M−H-90) 359.28 (M−H-120) |
481.19 |
481.19 319.17 (M+H-hex) 464.25 302.14 285.21 191.14 |
Raal et al. (2015)Raal, A., Boikova, T., Püssa, T., 2015. Content and dynamics of polyphenols in Betula spp. leaves naturally growing in Estonia. Rec. Nat. Prod. 9, 41-48.
|
42 |
62.14 |
Kaempferol dihexoside dirhamnoside |
901.24 |
901.24 593.23 (M−H-rh-hex) 285.2 (M−H-dirh-dihex) 739.44 (M−H-hex) |
903.27 |
903.27 884.47 (M+H-H2O) 287.16 (M+H-dirh-hex) 757.16 (M+H-hex) 595.23 (M+H-rh-hex) 449.08 (M+H-dirh-hex) |
|