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. Author manuscript; available in PMC: 2021 Oct 1.
Published in final edited form as: Anal Bioanal Chem. 2020 Aug 5;412(25):6969–6982. doi: 10.1007/s00216-020-02830-2

Table 5.

List of peaks identified for normalized unprocessed dataset A (plant materials)

Positive ion mode
Loadings ID from PCA m/z RT Compound Name MF Prob.
42 579.1694 6.8944 Isorhoifolin 718 97.35
47 433.1119 7.0029 Sophoricoside 658 96.98
24 611.1590 6.3266 Rutin 460 93.13
25 611.1589 6.3550 Rutin 460 93.13
150 282.2783 17.2641 Oleamide 872 92.49
Negative ion mode
19 609.1468 6.3919 Luteolin-7,3’-di-o-glucoside 345 96.77
20 593.1521 6.7255 Tiliroside 801 94.80
29 269.0456 8.9310 Genistein 706 83.89
22 431.0987 7.0047 Sophoricoside 908 83.40
30 285.0406 9.0730 Kaempferol 742 74.47
17 755.2057 6.0245 - - -