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. 2024 Jul 23;13(15):2011. doi: 10.3390/plants13152011

Table 5.

Proposed identification of compounds in the extracts and tincture from leaves of the L. replicata.

Rt
(min)		 Compound Molecular Formula m/z exp.
[M − H]− 		m/z Calculated
[M − H]− 		Error (ppm) Fragments MS2 Extracts Refs.
1 1.967 Sorbitol C6H13O6− 181.0724 181.0718 3.31 163 EE; DT [29,30]
2 1.967 HHDP—glucose C20H17O14− 481.0635 481.0622 2.70 421, 301, 275 EE; DT [31,32]
3 2.094 Pedunculagin isomer I (di-HHDP—glucose) C34H23O22− 783.0685 783.0686 −0.12 481, 301, 291, 275, 249, 145 EE; DT [31,32]
4 * 2.097 Pedunculagin isomer I (di-HHDP—glucose) C34H23O22− 391.0303 391.0307 −1.02 301, 291, 275, 145 DT [31,32]
5 2.178 Sucrose + formic acid C12H21O11− 387.1166 387.1144 5.68 341, 179, 161, 143 EE; DT [30]
6 2.220 Punicalin C34H21O22− 781.0530 781.0530 0.00 765, 721, 601, 575, 481, 393, 301, 299, 273 EE; DT [31,32]
7 2.473 HHDP galloyl glucose C27H21O18− 633.0733 633.0733 0.00 463, 275, 301, 249, 169 EE; DT [31,32]
8 * 2.490 Punicalagin isomers C48H27O30− 541.0269 541.0260 1.66 601, 531, 402, 301, 124 EE; DT [32]
9 2.515 Galloyl glucose C13H15O10− 331.0686 331.0671 4.53 304, 170, 169, 139, 125 EE; DT [31]
10 2.541 Trisgaloyl—HHDP glucose C41H27O27− 951.0784 951.0740 4.62 907, 605, 425, 341, 301, 275 EE [31]
11 2.566 Galloyl punicalin C41H25O26− 933.0627 933.0640 −1.39 631, 451, 425, 301 EE; DT [31]
12 2.617 Gallic acid C7H5O5− 169.0139 169.0142 −1.77 125 EE; DT [31]
13 2.687 Flavogalonic acid C21H9O13− 469.0051 469.0049 0.43 470, 425, 407, 299 DT [31]
14 2.768 Terflavin A C48H29O30− 1085.0754 1085.074 0.46 933, 783, 631, 601, 451, 301 EE; DT [31]
15 2.937 Punicalagin isomers C48H27O30− 1083.0578 1083.059 −1.38 781, 601, 451, 301 EE; DT [31,32]
16 3.131 HHDP—galloyl glucose isomer II C27H21O18− 633.0725 633.0733 −1.26 301, 275 EE; DT [31,32]
17 4.251 HHDP—galloyl glucose isomer III C27H21O18− 633.0686 633.0733 −7.42 301, 275 EE; DT [31,32]
18 4.639 HHDP—galloyl glucose isomer IV C27H21O18− 633.0736 633.0733 0.47 301, 275 EE; DT [31,32]
19 9.385 Trigaloyl hexoside C27H23O18− 635.0895 635.0890 0.79 483, 465, 313, 301, 169, 125 EE; DT [31]
20 9.385 Pterocarinin C C41H29O26− 937.0968 937.0953 1.60 785, 635, 465, 301, 275, 169,125 DT [33]
21 9.764 Tetragaloyl hexose C34H27O22− 787.0977 787.0999 −2.79 635, 617, 465, 169 EE; DT [34]
22 10.101 Ethyl gallate C9H9O5− 197.0456 197.0455 0.51 169, 125 EE; DT [31]
23 10.312 Pentagaloyl hexoside C41H31O26− 939.1112 939.1109 0.32 787, 617, 465, 393, 241, 169 DT [35]
24 10.481 Quercetin dihexoside C27H29O17− 625.1412 625.1410 0.32 581, 579, 487, 463, 301, 300, 271, 169, 151 EE; DT [36]
25 10.481 Isorhamnetin hexoside C22H21O12− 477.1036 477.1038 −0.42 433, 314, 313, 301, 271, 169, 125 DT [35,36]
26 10.565 Quercetin arabinoglycoside C26H27O16− 595.1315 595.1305 1.68 300, 301, 271, 169 EE; DT [37]
27 10.776 Quercetin galloyl hexoside C28H23O16− 615.0982 615.0992 −1.62 463, 300, 301, 271 EE; DT [38]
28 11.071 Quercetin hexoside C21H19O12− 463.0882 463.0881 0.22 301, 300, 271 EE; DT [38]
29 11.404 Galoyl quercetin C28H23O15− 599.1040 599.1042 −0.33 463, 301, 285 EE; DT [35,39]
30 11.362 Ellagic acid C14H5O8− 300.9996 300.9984 3.99 284, 173, 145, 133 EE; DT [32]
31 11.573 Hexoside kaempferol C21H19O11− 447.0934 447.0933 0.22 285, 284, 255, 227 EE; DT [32,35,40]
32 12.206 Quercetin C15H9O7− 301.0370 301.0354 5.31 273, 169, 151, 134 EE; DT [35]

Note: DT: dried tincture; EE: ethanolic extract/Rt: retention time; HHDP: hexahydroxydiphenol group, * [M − 2H]2–.