Table 2 Phytochemical composition of R. officinalis hexane extract as analysed by LC-ESI-HRMS in negative ion mode.

From: Rosmarinus officinalis L. hexane extract: phytochemical analysis, nanoencapsulation, and in silico, in vitro, and in vivo anti-photoaging potential evaluation

No	RT (min)	Annotation	Molecular formula	Exp. [M-H]⁻ m/z	Exact mass	MS/MS	Error (ppm)	Class	Refs.
1	19.234	Coniferyl alcohol	C₁₀H₁₂O₃	179.0712	180.0786	nd	0.49	Phenylpropanoid	⁵²
2	26.094	Podolide	C₁₉H₂₂O₅	329.1405	330.1467	nd	− 4.28	Norditerpene	⁵³
3	29.12	Rosmanol	C₂₀H₂₆O₅	345.1717, 691.3501 [2 M-H]⁻	346.178	283, 301	− 1.76	Phenolic diterpene	^46,47
4	30.331	(Epi)(iso)rosmanol I	C₂₀H₂₆O₅	345.1718, 691.3507 [2 M-H]⁻	346.178	283, 301	− 3.09	Phenolic diterpene	^46,49
5	31.441	(Epi)(iso)rosmanol II	C₂₀H₂₆O₅	345.1719	346.178	283, 301	− 3.14	Phenolic diterpene	⁴⁶
6	34.568	Lariciresinol	C₂₀H₂₄O₆	359.1509	360.1573	nd	− 2.48	lignan	⁵⁴
7	35.072	Unidentified	C₁₉H₂₂O₄	313.1452	314.1518	nd	− 2.15
8	36.485	Rosmadial	C₂₀H₂₄O₅	343.1563, 687.3191 [2 M-H]⁻	344.1624	299, 315, 313	− 3.34	Phenolic diterpene	⁴⁷
9	37.494	(Epi)rosmanol methyl ether	C₂₁H₂₈O₅	359.1877	360.1937	344, 315, 329	− 3.36	Phenolic diterpene	^46,55
10	38.099	Carnosol	C₂₀H₂₆O₄	329.1772, 659.3604 [2 M-H]⁻	330.1831	285	− 3.95	Phenolic diterpene	^56,57
11	39.713	Rosmadial isomer	C₂₀H₂₄O₅	343.1565	344.1624	299, 315	− 3.71	Phenolic diterpene	⁴⁷
12	40.621	Unidentified	C₁₉H₃₄O₄	325.2395	326.2457	nd	− 2.94
13	40.722	Rosmaridiphenol	C₂₀H₂₈O₃	315.1977, 631.4020 [2 M-H]⁻	316.2038	285, 135	− 3.58	Phenolic diterpene	⁴⁶
14	40.823	Carnosic acid	C₂₀H₂₈O₄	331.1928, 663.3922 [2 M-H]⁻	332.1988	244	− 3.91	Phenolic diterpene	^46,48,57
15	40.924	Rosmaridiphenol isomer I	C₂₀H₂₈O₃	315.1980, 631.4024 [2 M-H]⁻	316.2038	nd	− 4.43	Phenolic diterpene	⁴⁶
16	41.025	Rosmaridiphenol isomer II	C₂₀H₂₈O₃	315.1977	316.2038	nd	− 3.46	Phenolic diterpene	⁴⁶
17	42.03	Unidentified	C₂₃H₃₂O₃	355.2291	356.2351	nd	− 3.21
18	42.74	Carnosol isomer	C₂₀H₂₆O₄	329.1770, 659.3601 [2 M-H]⁻	330.1831	nd	− 3.37	Phenolic diterpene	^46,57
19	43.648	Asiatic acid	C₃₀H₄₈O₅	487.3444, 975.6934 [2 M-H]⁻	488.3502	nd	− 2.95	Triterpenoid	⁵⁸
20	45.06	12-O-methylcarnosic acid	C₂₁H₃₀O₄	345.2080	346.2144	301	− 2.85	Phenolic diterpene	⁴⁷
21	45.665	Carnosic acid isomer	C₂₀H₂₈O₄	331.1916	332.1988	nd	− 0.38	Phenolic diterpene	^46,57
22	47.3	Asiatic acid isomer	C₃₀H₄₈O₅	487.3438	488.3502	nd	− 2.29	Triterpenoid
23	47.683	betulinic acid	C₃₀H₄₈O₃	455.3543	456.3603	455, 411	− 2.7	Triterpenoid	^47,59
24	48.288	Lanopalmitic acid	C₁₆H₃₂O₃	271.2283	272.2351	nd	− 1.54	Hydroxy fatty acid	⁵⁴
25	48.49	Unidentified triterpenoid	C₃₀H₄₆O₃	453.3378	454.3447	nd	− 0.73	Triterpenoid
26	48.995	Oleanolic acid	C₃₀H₄₈O₃	455.3537	456.3603	407	− 1.25	Triterpenoid	^47,59
27	50.810	Ursolic acid	C₃₀H₄₈O₃	455.3540	456.3603	nd	− 1.26	Triterpenoid	^47,59
28	51.618	Unidentified triterpenoid	C₃₀H₄₄O₃	451.3230, 903.6532 [2 M-H]⁻	452.329	nd	− 3.07	Triterpenoid
29	52.626	Unidentified triterpenoid	C₃₀H₄₆O₃	453.3390, 907.6833 [2 M-H]⁻	454.3447	nd	− 2.84	Triterpenoid
30	59.89	Augustic acid	C₃₀H₄₈O₄	471.3498	472.3553	nd	− 2.79	Triterpenoid	⁵⁵
31	72.298	Pyro-pheophytin-b	C₅₃H₇₀N₄O₄	825.5338	826.5397	nd	− 7.15	Chlorophyll derivative	⁶⁰

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Table 2 Phytochemical composition of R. officinalis hexane extract as analysed by LC-ESI-HRMS in negative ion mode.

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