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. 2021 Jan 6;30(2):195–208. doi: 10.1007/s10068-020-00856-x

Table 3.

Tentative identification of metabolites presents in F. auriculata fruit extract

Peak No. RT (min) MF MW (g/mol) Theoretical mass (m/z) Measured mass [M-H]− Delta UV (nm) MS/MS Fragment ions Tentative identification References
1 0.67 C15H18O9 342.29 341.0878 341.1074 0.0196 ND 179, 119, 89, 85, 71, 59 Caffeoyl glucose Santhirasegaram et al. (2015)
7 0.74 C7H12O6 192.16 191.0561 191.0544 0.0017 208 111, 87, 85 Quinic acid Santhirasegaram et al. (2015)
9 0.99 C7H12O6 192.16 191.0561 191.0547 0.0014 206 111, 87, 85 Quinic acid isomer Santhirasegaram et al. (2015)
3 2.23 C13H16O10 332.26 331.0670 331.0660 0.0010 210 169, 151, 125, 107 Monogalloyl glucose Santhirasegaram et al. (2015)
37 2.29 C13H16O10 332.26 331.0670 331.0659 0.0011 210 169, 151, 125, 107 Monogalloyl glucose isomer Santhirasegaram et al. (2015)
38 3.03 C16H18O9 354.30 353.0878 353.0863 0.0015 216, 324 191, 179, 135 Chlorogenic acid/Caffeoylquinic acid Hofmann et al. (2016)
39 3.12 C9H18O4 180.15 179.0350 179.0336 0.0014 218, 284 179, 150, 135, 134, 89 Caffeic acid Sanchez-Rabaneda et al. (2003)
40 3.99 C16H18O9 354.31 353.0878 353.06555 0.0223 218, 326 191 5-caffeoylquinic acid Dou et al. (2007)
41 4.11 C27H30O15 594.51 593.1507 593.1494 0.0013 218, 284 593, 285, 284, 256, 255 Kaempferol-3-O-rutinoside Kumar et al. (2015)
42 4.23 C27H30O17 626.51 625.1410 625.1388 0.0021 218, 290, 324 625, 463, 462, 301, 300, 299 Quercetin 3,4′-diglucoside Lawal et al. (2017)
43 4.30 C27H30O15 594.51 593.1507 593.1499 0.0008 218, 284 593, 285, 284, 256, 255 Kaempferol-3-O-rutinoside isomer Kumar et al. (2015)
44 4.87 C15H14O6 290.26 289.0718 289.0707 0.0011 218, 270 245, 203, 151, 125, 123, 109 Catechin Sanchez-Rabaneda et al. (2003)
45 4.93 C15H14O6 290.26 289.0718 289.0706 0.0012 218, 278 245, 203, 151, 125, 123, 109 Epicatechin Sanchez-Rabaneda et al. (2003)
46 5.61 C21H20O11 448.37 447.0933 447.0921 0.0012 218, 282 339, 327, 299, 285, 151 Luteolin-6-C- β-D-glucoside (Isoorientin) Sanchez-Rabaneda et al. (2003)
47 5.67 C21H20O11 448.37 447.0933 447.0919 0.0014 218, 278 357, 339, 327, 299, 285, 151 Luteolin-8-C- glucoside (Orientin) Sanchez-Rabaneda et al. (2003)
6 5.94 C6H8O6 176.12 175.0397 174.9545 0.0852 220, 282 146, 118 4-hydroxy-6-methylcoumarin Abd Ghafar et al. (2018)
48 6.35 C21H20O10 432.37 431.0984 431.0969 0.0015 220, 268 341, 311, 283, 271, 269 Apigenin-6-C-glucoside (Vitexin) Sanchez-Rabaneda et al. (2003)
49 6.47 C21H20O10 432.37 431.0984 431.0968 0.0016 220, 278 353, 341, 311, 283, 269 Apigenin-8-C-glucoside (Isovitexin) Sanchez-Rabaneda et al. (2003)
50 6.55 C21H8O13 478.35 477.0675 477.0662 0.0013 220, 278 477, 301, 255, 178, 151, 121 Quercetin-3-O-glucuronide Barros et al. (2014)
51 6.61 C21H20O12 464.37 463.0882 463.0870 0.0012 220, 282 300, 271, 255, 151 Quercetin-3-O-glucoside Kumar et al. (2015)
52 6.89 C21H20O10 432.37 431.0984 431.1671 0.0687 218 431, 269, 268 Apigenin-7-O-glucoside Plazonic et al. (2009)
53 6.91 C20H18O11 434.35 433.0776 433.0766 0.0010 220, 278 301, 300, 271, 255 Quercetin-3-O-arabinoside Kumar et al. (2015)
54 7.05 C20H18O11 434.35 433.0776 433.0764 0.0012 220, 282 301, 300, 271, 255 Quercetin-3-O-arabinoside isomer Kumar et al. (2015)
55 7.69 C25H24O12 516.45 515.1195 515.1174 0.0021 220, 328 353, 191, 179.0336, 173 Dicaffeoylquinic acid Dias et al. (2010)
56 7.78 C20H18O12 450.34 449.0726 449.1076 0.0347 220, 288 287, 151, 135 Myricetin-O-pentoside Hofmann et al. (2016)
57 7.97 C21H22O11 450.39 449.1089 449.2020 0.0931 222, 284 287, 286, 199 3,5′,5′,7-Tetrahydroxyflavanone-O-hexoside Dias et al. (2010)
58 9.48 C15H10O6 286.23 285.0405 285.0396 0.0009 222 217, 199, 175, 151, 133, 107 Luteolin Sanchez-Rabaneda et al. (2003)
59 9.48 C15H10O6 286.23 285.0404 285.0405 0.0000 222 217, 15, 133 Kaempferol Sanchez-Rabaneda et al. (2003)
60 9.54 C15H10O6 286.23 285.0405 285.0394 0.0011 222 217, 199, 175, 151, 133, 107 Luteolin isomer Sanchez-Rabaneda et al. (2003)
29 9.56 C15H10O7 302.23 301.0354 301.0351 0.0003 220 273, 178, 151, 121, 108 Quercetin Kumar et al. (2015)
61 10.00 C22H18O11 458.37 457.0776 457.1686 0.0910 220 305, 317, 225, 217, 167, 109 Epigallocatechin gallate Maity et al. (2013)
62 10.79 C15H10O5 270.23 269.0456 269.0446 0.0010 222 225, 151, 117, 107 Apigenin Sanchez-Rabaneda et al. (2003)
17 11.22 C16H12O6 300.26 299.0561 299.0550 0.0010 222, 288 284, 270, 256 Gliricidin Ye et al. (2012)
63 16.71 C13H12O9 312.22 311.0409 311.0550 0.0141 224, 306 179, 149, 133, 115 Caftaric acid Abu-Reidah et al. (2015); Barros et al. (2014)
64 17.82 C15H16O9 340.28 339.0722 339.0706 0.0016 224, 316 339, 177 Aesculin Li et al. (2013)
65 19.94 C15H18O8 326.29 325.0929 325.0916 0.0013 224, 282 269, 189, 183, 145 p-coumaroylhexose Kajdzanoska et al. (2010)

Note: Delta is defined as the absolute difference between theoretical mass and measured mass of compound. ND is not determined