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. 2022 Jun 19;12:10305. doi: 10.1038/s41598-022-13599-y

Table 2.

Chemical profile analysis of selected active compounds of PHELA (indicated #) and individual plants.

Sl. no RT (min) Acquired [M + H]+ m/z Formula of possible structure Theoretical [M + H]+ m/z Calculated accurate mass (Da) Mass error (ppm) Possible structure
Chemical profile of PHELA and Senna occidentalis, DCM extracts, ESI positive mode
1# 7.7 259.0968 C15H14O4 259.0970 258.0892 − 0.8 graphic file with name 41598_2022_13599_Figa_HTML.gif
1 7.7 259.0971 C15H14O4 259.0970 258.0892 0.4
2# 8.3 269.0454 C15H8O5 269.0450 268.0371 1.5 graphic file with name 41598_2022_13599_Figb_HTML.gif
2 8.3 269.0459 C15H8O5 269.0450 268.0371 3.3
Chemical profile of PHELA and Clerodendrum glabrum, DCM extracts, ESI positive mode
3# 6.7 301.0705 C16H12O6 301.0712 300.0633 − 2.3 graphic file with name 41598_2022_13599_Figc_HTML.gif
3 6.7 301.0716 C16H12O6 301.0712 300.0633 − 2.3
4# 8.3 331.1909 C20H26O4 331.1909 330.1831 0.0 graphic file with name 41598_2022_13599_Figd_HTML.gif
4 8.3 331.1906 C20H26O4 331.1909 330.1831 − 0.9
5# 9.42 347.1862 C20H26O5 347.1858 346.1780 1.2 graphic file with name 41598_2022_13599_Fige_HTML.gif
5 9.42 347.1851 C20H26O5 347.1858 346.1780 − 2.0
Chemical profile of PHELA and Rotheca myriciodes, DCM extracts, ESI positive mode
6# 9.8 349.2017 C20H28O5 349.2015 348.1936 0.6 graphic file with name 41598_2022_13599_Figf_HTML.gif
6 9.8 349.2015 C20H28O5 349.2015 348.1936 0.0
Chemical profile of PHELA and Gladiolus dalenii, DCM extracts, ESI negative mode
7# 10.84 331.1916 C20H28O4 331.1909 332.1987 2.1 graphic file with name 41598_2022_13599_Figg_HTML.gif
7 10.85 331.1906 C20H28O4 331.1909 332.1987 − 0.9
Chemical profile of PHELA and Rotheca myriciodes, DCM extracts, ESI negative mode
8# 12.8 317.2121 C20H30O3 317.2117 318.2194 − 0.9 graphic file with name 41598_2022_13599_Figh_HTML.gif
8 12.8 317.2117 C20H30O3 317.2117 318.2194 0.0
Chemical profile of PHELA and Clerodendrum glabrum, MeOH extracts, ESI negative mode
9# 0.6 341.1089 C12H22O11 341.1084 342.1162 1.5 graphic file with name 41598_2022_13599_Figi_HTML.gif
9 0.6 341.1081 C12H22O11 341.1084 342.1162 − 0.9