TABLE 1.

UPLC-ESI/MSⁿ metabolic profiling of the phytoconstituents of T. ciliata and C. odorata in the negative and positive ion modes.

No.	Compound	Molecular formula	Class	Rt (min.)	[M-H]-(m/z)	[M + H]+/[M + H + Na]+ (m/z)	MS/MS fragments	% composition		Ref.
								TC	CO
1	Afzelechin	C15H14O5	Flavonoid	0.70	273	—	—	—	1.81	Zaghloul et al. (2023)
2	Fragment	—	—	0.71	377	381	—	14.76	8.79	Benayad et al. (2014)
3	Icariside I	C27H30O11	Flavonoid	1.05	531	—	300, 388, 219, and 101	4.33	8.00	Ren and Long (2017)
4	Chlorogenic acid derivative	—	Phenylpropanoid	2.57	451	—	298, 276, 191, 169, 108, and 71	0.51	—	Simirgiotis et al. (2015)
5	Kaempferol-O-pentoside	C20H18O10	Flavonoid	4.39	431	433	285	2.87	3.52	Chen H. J et al. (2011)
6	Acacetin pento-hexoside	C28H32O14	Flavonoid	4.77	591	—	289, 265, 255, 119, 133, and 103	0.87	—	Al-Yousef et al. (2020)
7	Fragment of (epi)gallocatechin	—	Tannin	5.21	467	—	409, 347, 289, 283, 255, 101, and 99	0.58	—	Escobar-Avello et al. (2019)
8	Fragment of ursolic acid	—	Triterpene	5.40	411	—	265, 247, 179, 163, and 119	11.03	—	Chen H. J et al. (2011)
9	Apigenin derivative	—	Flavonoid	5.87	521	—	285, 236, 196, 183, and 161	9.60	—	Rini Vijayan and Raghu (2019)
10	Rutin	C27H30O16	Flavonoid	5.99	609	—	315, 301, 209, 188, and 83	—	1.97	Simirgiotis et al. (2015)
11	Quercetin-O-hexoside	C21H20O12	Flavonoid	6.16	463	—	357, 310, 301, 308, 271, and 255	0.76	—	Simirgiotis et al. (2015)
12	Salvianolic acid A	C26H22O10	Miscellaneous	6.32	493	—	403, 165, 133, 121, 101, and 99	0.25	—	Barros et al. (2013)
13	Kaempferol-deoxyhexosyl-hexoside	C27H29O14	Flavonoid	6.38	593	—	285, 227, 209, and 169	—	5.12	Elhawary et al. (2021)
14	Quercetin-3-O-pentoside	C20H18O11	Flavonoid	6.59	447	449	372, 153, 301, 284, 271, 254, and 239	5.80	—	Cunja et al. (2014), Sobeh et al. (2016)
15	Aloeresin B	C19H22O9	Anthraquinone	6.70	393	—	307, 277, 163, and 113	0.37	—	El Sayed et al. (2016b)
16	Quinic acid derivative	—	Phenylpropanoid	6.81	441	—	265, 235, 191, 175, and 89	0.36	2.12	Chen Q et al. (2011)
17	Quercetin-O-acetyl-hexoside	C23H22O13	Flavonoid	7.17	505	—	345, 301, 293, 239, 161, and 103	—	3.00	Elhawary et al. (2021)
18	3,5-di-O-Caffeoylquinic acid	C25H24O12	Phenylpropanoid	7.69	515	—	321, 303, 271, 261, and 191	2.14	—	Chen Q et al. (2011)
19	Chicoric acid derivative	—	Phenylpropanoid	7.86	473	—	328, 266, 243, 209, and 101	3.33	—	Chen H. J et al. (2011)
20	Caffeic acid hexoside derivative	—	Phenylpropanoid	7.90	533	—	388, 371, 330, 319, 299, and 269	—	7.36	Elhawary et al. (2021)
21	3-Methyl-epigallocatechin gallate	C23H20O11	Tannin	8.23	471	—	289 and 140	0.23	—	Bastos et al. (2007)
22	Kaempferol acetyl-hexoside	C23H22O12	Flavonoid	8.46	489	—	337 and 285	7.09	—	Kramberger et al. (2020)
23	Chrysoeriol-O-hexouronic acid	C22H20O12	Flavonoid	8.61	475	—	—	0.73	—	El Sayed et al. (2016a)
24	(epi)afzelechin–(epi)catechin dimer	C30H25O11	Tannin	9.25	561	—	273	1.02	—	Gu et al. (2003)
25	Manniflavanone	C30H22O13	Flavonoid	9.43	589	—	443, 399, 341, 331, 306, 287, 265, 123, and 113	—	7.06	Reed (2009)
26	Fragment of caffeoyl diferuloylquinic acid	—	Phenylpropanoid	9.56	—	545	—	0.53	—	Schmeda-Hirschmann et al. (2015)
27	13-O-Phenylacetyl-12- deoxyphorbol-20-acetate	C30H36O7	Miscellaneous	10.25	531	—	265, 119, and 101	—	5.20	Ghani and Badr (2020)
28	Ganolucidic acid B	C30H46O6	Triterpene	10.37	501	503	213	—	7.24	Yang et al. (2007)
29	(epi)Catechin-ethyl dimer	—	Tannin	10.64	605	—	289	1.14	—	Rockenbach et al. (2012)
30	Apigenin 6-C-pentoside-8-C-pentoside	C25H26O13	Flavonoid	10.76	547	—	456, 425, 417, 285, 263, 237, and 135	—	2.03	Marzouk et al. (2019)
31	Pallidol	C28H22O6	Stilbene dimer	10.78	453	—	364, 245, 240, and 111	2.64	—	Escobar-Avello et al. (2019)
32	Ferulic acid derivative	—	Phenylpropanoid	11.28	517	551	266, 255, 241, and 212	0.53	13.79	Bystrom et al. (2008)
33	Abscisic acid-O-hexoside-HMG	—	Tannin	11.54	585	—	—	0.76	—	El-Sayed et al. (2017)
34	7,8-Dihydro-3- oxo-α-ionol β-D-hexoside	C13H22O2	Miscellaneous	11.88	—	373	—	—	1.11	El-sayed et al. (2021)
35	Arbutin	C12H16O7	Flavonoid	11.98	311	—	—	0.36	—	Jia et al. (2017)
36	A-type proanthocyanidin dimer	C30H24O12	Tannin	12.00	575	—	459, 443, 211, and 175	—	5.65	Reed (2009)
37	Secoisolariciresinol guaiacylglyceryl ether	C30H38O10	Sesquilignan	12.25	—	559	403, 379, and 337	—	4.38	Patyra et al. (2022)
38	Procyanidin dimer	C30H26O12	Tannin	13.01	573	—	—	0.51	—	Reed (2009)
39	Methyl trigalloyl hexose	C28H27O18	Tannin	13.96	649	—	539, 529, 499, 455, and 359	—	5.95	El-sayed et al. (2021)
40	Eicosanoyl derivative of 12-ursen-3-ol	C50H88O2	Triterpene	13.97	721	—	577, 411, and 289	2.79	—	Xiao et al. (2023)
41	Fragment of arbutin	—	Flavonoid	14.35	293	—	163, 113, and 89	2.33	—	Jia et al. (2017)
42	Heliarzanol 1	C24H30O8	Pyrone derivative	16.06	445	—	206, 193, 164, and 112	2.22	—	Kramberger et al. (2020)
43	Apigenin 6-C-α-pentoside-8-C-β-hexoside (isoviolanthin)	C27H30O14	Flavonoid	16.52	—	579	374, 259, and 199	1.42	1.15	Marzouk et al. (2019)
44	Chlorogenic acid	C16H18O9	Phenylpropanoid	17.91	—	353	299, 251, and 209	0.47	1.38	Elhawary et al. (2021)
45	Fragment of rutin	—	Flavonoid	19.20	423	—	379, 327, and 294	3.16	—	Shrestha et al. (2017)
46	Eriodictyol-7-O-hexoside	C21H22O11	Flavonoid	19.38	—	451	264, 203, and 169	—	0.78	Ashraf et al. (2020)
47	Caffeoyl-2-hydroxyethane-1,1,2-tricarboxylic acid	—	Phenylpropanoid	20.40	339	—	265, 179, and 103	1.68	—	Ye et al. (2005), Ben Said et al. (2017)
48	Fragment of chlorogenic acid	—	Phenylpropanoid	20.73	313	—	—	0.98	—	Ibrahim et al. (2015)
49	Acetyl-O-galloyl hexose	C14H19O10	Tannin	20.82	—	375	—	0.60	—	El-sayed et al. (2021)
50	Rhamnocitrin-O-rutinoside	—	Flavonoid	20.96	—	609	315, 209, and 188	1.94	—	ElKhateeb et al. (2019)
51	Trigalloyllevohexosan	—	Tannin	21.13	—	621	509, 445, and 223	—	0.62	El-sayed et al. (2021)
52	Myricetin-O-hexosyl-O-hexouronoside	—	Flavonoid	22.32	655	—	285 and 179	3.15	—	Affes et al. (2021)
53	Isorhamnetin 7-O-[3-hydroxy-3- methylglutaroyl]-hexoside	—	Flavonoid	22.87	—	623	315, 270, 168, and 75	11.07	6.57	López-Angulo et al. (2018)
54	Galloyl ester of 5,6,7- trihydroxy-2,3- dihydrocyclopenta [b]chrom ene-1,9-dione-3-carboxylic acid hexoside	—	Miscellaneous	24.07	—	607	547 and 460	20.98	17.28	Fraternale et al. (2015)
55	12-O-β-D-hexoside deriv. of 8,11,13-Abietatriene-3,11,12,16-tetrol	C26H40O9	Diterpene	30.01	597	—	—	0.50	—	Lee et al. (2016)
	% Identification ESI −ve mode ESI + ve mode							89.38 37.00	88.61 33.27

Bold font indicates high percentage of compounds.