J Food Bioact

Journal of Food Bioactives, ISSN 2637-8752 print, 2637-8779 online

Journal website www.isnff-jfb.com

Original Research

Volume 17, March 2022, pages 56-72

Qualitative analysis of secondary metabolites of chaga mushroom (Inonotus Obliquus): phenolics, fatty acids, and terpenoids

**Table 1.** Chemical constituents (saccharides and phenolics) of chaga extract scanned by HPLC-ESI-TOF-MS
Compound no.	t_R (min)	Formula	[M-H]⁻/[2M-H]⁻ (m/z)	Compounds detected in current study
Saccharides (S)
A1	3.054	C₆H₁₄O₆	181.0719	181.0718	−0.76		Sorbitol	Shin et al. (2001)
A2	3.071	C₁₂H₂₂O₁₁	341.1082/683.2280/387.1130	341.1089	2.15	Disaccharide	–
A3	3.371	C₂₄H₃₈O₂₀	645.188	645.1884	0.57	Tetrasaccharide (Beta-D-Delta(4)-GlcpA-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-beta-D-Glcp)	–
Small-molecule Phenolics (P)
Phenolic acid derivatives
P1/2	2.606/4.463	C₇H₆O₅	169.0149	169.0142	−3.84	–	Trihydroxybenzoic acid and its isomer	Zheng et al. (2008); Glamočlija et al. (2015); Abu-Reidah et al. (2021)
P3	4.631	C₈H₆O₅	181.0151	181.0142	−4.69	–	Hydroxyisophthalic acid	Hwang et al. (2016)
P4	4.083	C₇H₆O₄	153.0201	153.0193	−4.98	–	Dihydroxybenzoic acid	Ju et al. (2010); Nakajima et al. (2007); Glamočlija et al. (2015); Abu-Reidah et al. (2021)
P7	8.812	C₇H₆O₃	137.0240	137.0244	3.03	–	Hydroxybenzoic acid/salicylic acid	Glamočlija et al. (2015); Abu-Reidah et al. (2021)
P12/14/16	18.866/20.741/23.446	C₉H₈O₄	179.035	179.0350	−0.1	–	Caffeic acid and its isomers	Nakajima et al. (2007); Abu-Reidah et al. (2021)
P13/26	20.360/32.721	C₁₀H₁₀O₃	177.0547	177.0557	5.72	–	4-Methoxycinnamic acid or mullein or 3,4-Dihydroxybenzalacetone	Nakajima et al. (2007); Kim et al. (2011); Abu-Reidah et al. (2021)
P17	24.275	C₉H₈O₃	163.0405	163.0401	−2.64	–	Coumaric acid	Abu-Reidah et al. (2021); Zheng et al. (2009); Kim et al. (2008)
P9/19	17.406/24.939	C₈H₈O₄	167.0345	167.035	2.87	–	Dihydroxyphenylacetic acid	Ju et al. (2010); Abu-Reidah et al. (2021)
Homogentisic acid	Kim et al. (2008)
Vanillic acid	Ju et al. (2010)
P20	26.515	C₉H₈O₅	195.029	195.0299	4.58	–	4-Methoxyisophthalic acid	Chang et al. (2022)
P21	28.208	C₁₄H₁₀O₆	273.0400	273.0405	1.68	–	6,6′-Dihydroxy-(1,1′-biphenyl)-3,3′-dicarboxylic acid	Hwang et al. (2016)
P23	30.547	C₁₅H₂₀O₉	343.1026	343.1035	2.49	Syringic acid rhamnoside	–
P24/57/70	31.111/50.109/57.193	C₉H₁₀O₅	197.0449	197.0455	3.27	–	Hydroxy dimethoxybenzoic acid/Syringic acid	Mazurkiewicz (2006); Hwang et al. (2016); Abu-Reidah et al. (2021); Zheng et al. (2009)
P28	33.965	C₁₁H₁₄O₅	225.0777	227.0768	−3.77	–	Methylgallate	Chang et al. (2022)
P48	46.907	C₂₂H₂₆O₁₁	465.138	465.1402	4.8	Agnuside	–
P34/47	41.050/46.873	C₁₀H₁₀O₄	193.051	193.0506	−1.89	–	cis/trans Ferulic acid	Kim et al. (2008); Abu-Reidah et al. (2021)
P50	48.433	C₁₈H₂₂O₁₀	397.1141	397.114	−0.2	Sinapoylquinic acid	–
P52	48.533	C₂₅H₃₀O₁₄	553.1566	553.1563	−0.58	Lippioside II	–
P53	49.196	C₂₅H₃₂O₁₃	539.1788	539.177	−3.31	Oleuropein	–
P54	49.545	C₂₃H₂₈O₁₃	511.1436	511.1457	4.13	Picroside II	–
P68	56.712	C₂₅H₃₀O₁₃	537.1631	537.1614	−3.22	Grandifloroside	–
P71/72	57.608/57.907	C₂₃H₂₆O₁₃	509.1316	509.1301	−3.01	Mallophenol A and its isomer	–
P74	59.367	C₁₁H₁₂O₄	207.0663	207.0663	−0.08	–	Sinapaldehyde	Chang et al. (2022)
P88	63.299	C₁₉H₂₀O₄	311.1285	311.1289	1.23	–	(9S)-Acerogenin M	Chang et al. (2022)
P89	63.747	C₃₄H₄₀O₁₈	735.2112	735.2142	4.06	Helonioside B	–
P91/93	64.428/64.892	C₃₄H₄₀O₁₈	735.2113	735.2142	3.92	Smilaside B and its isomer	–
P92	64.826	C₂₆H₃₀O₁₄	565.1556	565.1563	1.2	Jaslanceoside B	–
P110	110.636	C₃₉H₅₆O₅	603.4082	603.4055	−4.47	–	Betulin-3-O-caffeate	Wold et al. (2020)
Coumarin, quinone, anthrone, and xanthone derivatives
P10	18.817	C₉H₆O₄	177.0203	177.0193	−5.44	–	Dihydroxycoumarin	Ju et al. (2010)
P15	22.019	C₉H₆O₃	161.0246	161.0244	−1.13	Hydroxycoumarin	–
P18	24.508	C₉H₆O₂	145.0301	145.0295	−4.09	–	Coumarin	Chang et al. (2022)
P31	37.864	C₁₄H₁₀O₅	257.046	257.0455	−1.76	Dihydroxy methoxyxanthone	–
P32	37.914	C₁₁H₈O₅	219.0302	219.0299	−1.38	Purpurogallin	–
P33	40.27	C₁₄H₁₆O₇	295.0831	295.0823	−2.61	Phellodenol F	–
P36	41.697	C₁₂H₁₀O₆	249.0409	349.0405	−1.75	–	Inonotphenol A	Chang et al. (2022)
P39	42.228	C₁₂H₁₂O₅	235.0615	235.0612	−1.28	Trimethoxycoumarin	–
P42	44.866	C₁₃H₈O₇	275.0188	275.0197	3.36	Pentahydroxyxanthone	–
P43	44.949	C₁₃H₁₂O₅	247.06	247.0612	4.83	Acetyl dimethoxycoumarin	–
P45	46.425	C₁₄H₁₀O₄	241.0514	241.0506	−3.17	Leucoquinizarine	–
P51	48.466	C₁₆H₁₈O₁₀	369.0833	369.0827	−1.57	Fraxin	–
P57	50.225	C₁₂H₁₀O₄	217.0511	217.0506	−2.14	Liqcoumarin	–
P58	50.739	C₂₄H₁₈O₉	449.0882	449.0878	−0.88	Gaboroquinone A	–
P66	55.518	C₁₂H₁₄O₈	307.0465	307.0459	−1.81	Fulvic acid	–
P78	60.23	C₁₄H₈O₇	287.0212	287.0197	−5.12	Pentahydroxyanthraquinone	–
P85	65.971	C₁₄H₈O₈	303.0139	303.0146	2.44	Hexahydroxyanthraquinone	–
P97	67.779	C₂₂H₁₆O₈	407.0785	407.0772	−3.09	Hydramycin	–
Flavonoids
P22	29.535	C₁₅H₁₀O₈	317.0311	317.0303	−2.54		Myricetin	Abu-Reidah et al. (2021)
P29	34.496	C₁₉H₂₀O₆	343.1184	343.1187	0.91	Tetramethoxyflavanone	–
P30/37	34.927/41.813	C₁₅H₁₀O₇	301.0349	301.0354	1.58	–	Quercetin and its isomer	Zheng et al. (2009); Abu-Reidah et al. (2021)
P35	41.282	C₁₉H₁₈O₆	341.1021	341.1031	2.81	Tetramethoxyflavone	–
P38	42.095	C₁₈H₁₆O₆	327.0878	327.0874	−1.18	Hydroxy trimethoxyflavone	–
P41	43.406	C₁₅H₁₀O₆	285.0405	285.0412	−2.58	–	Kaempferol	Zheng et al. (2009)
P44	46.259	C₂₆H₂₈O₁₄	563.1385	563.1406	3.77	Vicenin-1	–
P46	46.608	C₂₄H₂₄O₁₄	535.1094	535.1093	−0.13	Haploside A	–
P55	49.594	C₁₉H₁₈O₅	325.1078	325.1081	1.06	Moracin P	–
P59	51.121	C₁₉H₂₀O₅	327.1237	327.1238	0.3	Tetramethoxychalcone	–
P60/63	51.95/52.975	C₂₂H₂₄O₁₂	479.1220	479.1195	−5.21	Noidesol and its isomer	–
P61	52.730	C₁₆H₁₂O₅	283.0626	283.0612	−4.94	–	Fortuneletin/5,7-dihydroxy-3′-methoxyflavone	Zheng et al. (2009)
P62	52.936	C₂₈H₃₄O₁₅	609.1820	609.1825	0.81	–	Rutin	Zheng et al. (2009)
P67	56.397	C₂₂H₂₆O₁₀	449.145	449.1453	0.71	Auriculoside	–
P69	57.177	C₂₀H₂₂O₁₀	421.1156	421.114	−3.74	Polydine	–
P73	58.255	C₁₈H₁₆O₅	311.0928	311.0925	−0.97	Trimethoxyflavone	–
P75	59.666	C₂₈H₃₂O₁₅	607.1681	607.1668	−2.07	Diosmin	–
P77	60.163	C₄₃H₄₂O₁₃	765.2562	765.2553	−1.22	Iryantherin F	–
P80/81	61.275/61.690	C₃₄H₄₂O₁₈	737.2318	737.2298	−2.66	Brutieridin and its isomer	–
P83	62.387	C₁₆H₁₄O₇	317.0658	317.0667	2.76	Dihydrorhamnetin	–
P84	62.868	C₁₅H₁₂O₅	271.0621	271.0612	−3.32	–	Naringenin	Zheng et al. (2009)
P85	62.868	C₁₉H₁₆O₆	339.088	339.0874	−1.73	Acetylafromosin	–
P86	62.951	C₁₆H₁₂O₇	315.0505	315.051	1.67	–	Methoxy tetrahydroxyflavone/Isorhamnetin	Zheng et al. (2008); Zheng et al. (2009); Abu-Reidah et al. (2021)
P87	63.25	C₂₅H₂₀O₁₀	479.0996	479.0984	−2.56	Rhodiolin	–
P90	64.096	C₃₁H₃₆O₁₅	647.2011	647.1981	−4.56	Embigenin 2″-(2‴-acetylrhamnoside)	–
P94	65.606	C₁₆H₁₂O₆	299.058	299.0561	−6.29	Methoxyl trihydroxylflavonol	–
P96	67.696	C₁₅H₁₀O₆	285.0424	285.0407	−7.13	–	Kaempferol or Luteolin	Zheng et al. (2009)
Styrylpyrones
P25	32.239	C₁₃H₆O₈	288.9982	288.9990	2.76	Phelligridin J	–
P27	33.334	C₁₃H₁₀O₅	245.0457	245.0455	−0.62	–	Hispidin	Abu-Reidah et al. (2021)
P40	43.256	C₂₈H₁₈O₅	433.1185	433.1081	−0.81	–	Methylinoscavin C	Zheng et al. (2011)
P64/106	54.555/86.329	C₂₅H₁₈O₉	461.0884	461.0878	−1.29	Inoscavin A and inonobulin C	–
P65	55.136	C₂₅H₂₀O₉	463.1017	463.1035	3.78	–	Davallialactone	Zhao et al. (2015b)
P79	60.711	C₁₃H₈O₆	259.0253	259.0248	−1.88	Phelligridin A	–
P82	62.171	C₂₂H₁₆O₇	391.0825	391.0823	−0.44	Phelliribsin A	–
P98	74.117	C₂₃H₁₄O₁₀	449.0503	449.0514	2.49	–	Inonoblin B	Lee et al. (2007)
P99	79.344	C₂₁H₁₆O₈	395.0776	395.0772	−0.91	Inoscavin D	–
P100	80.024	C₂₂H₁₈O₈	409.0953	409.0929	−5.87	Methylinoscavin D	–
P101	83.126	C₂₅H₁₄O₁₀	473.0508	473.0514	1.31	–	Phelligridin E	Lee et al. (2007)
P102	83.939	C₂₀H₁₂O₈	379.0459	379.0459	0.11	–	Phelligridin D	Lee et al. (2007)
P103	84.835	C₂₃H₁₆O₈	420.0787	419.0772	−3.47	–	Inoscavin C	Zhao et al. (2015b)
P104	85.814	C₃₂H₁₈O₁₂	593.0725	593.0725	0.08	–	Phelligridin G	Lee et al. (2007)
P106	86.329	C₂₅H₁₈O₉	461.0884	461.0878	−1.29	–	Inonobulin C	Lee et al. (2007)
P107	87.142	C₂₀H₁₂O₇	363.0505	363.0510	1.45	–	Phelligridin C	Lee et al. (2007)
Others
P5	7.335	C₇H₆O₄	153.0201	153.0193	−4.98	–	2,6-Dimethoxyphenol	Mazurkiewicz (2006)
P6	7.352	C₆H₆O₂	109.0290	109.0295	4.57	–	Resorcinol	Mazurkiewicz (2006)
P8	10.189	C₇H₆O₃	137.0239	137.0244	3.75	–	Dihydroxybenzaldehyde	Nakajima et al. (2007); Zheng et al. (2008); Kim et al. (2011); Liu et al. (2014)
P11	18.833	C₈H₈O₂	135.0449	135.0452	1.86	Hydroxy phenylacetaldehyde	–
P49	47.355	C₂₂H₂₈O₁₀	451.1610	451.1610	−0.06	–	Erythro-4,7,9,9′-tetrahydroxy-3,5,3′,5′-tetramethoxy-8-O-4′-neolignane	Chang et al. (2022)
P76	59.666	C₂₀H₂₂O₉	405.1221	405.1191	−7.37	Astringin	–
P108	91.406	C₁₉H₂₂O₃	297.1487	297.1496	3.08	–	(−)-(S)-acerogenin B	Chang et al. (2022)
P109	109.657	C₂₆H₃₈O₂	381.2797	381.2799	0.53	Desmethyl tocotrienol	–
P111	113.938	C₂₈H₄₂O₂	409.3118	409.3112	−1.45	β/γ-Tocotrienol	–

Table 1. Chemical constituents (saccharides and phenolics) of chaga extract scanned by HPLC-ESI-TOF-MS

Compound no.

t_R (min)

Formula

[M-H]⁻/[2M-H]⁻ (m/z)

Compounds detected in current study

Measured

Calculated

Error (ppm)

Newly detected compounds

Known compounds

Reference

Saccharides (S)

3.054

C₆H₁₄O₆

181.0719

181.0718

−0.76

Sorbitol

Shin et al. (2001)

3.071

C₁₂H₂₂O₁₁

341.1082/683.2280/387.1130

341.1089

2.15

Disaccharide

–

3.371

C₂₄H₃₈O₂₀

645.188

645.1884

0.57

Tetrasaccharide (Beta-D-Delta(4)-GlcpA-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-beta-D-Glcp)

–

Small-molecule Phenolics (P)

Phenolic acid derivatives

P1/2

2.606/4.463

C₇H₆O₅

169.0149

169.0142

−3.84

–

Trihydroxybenzoic acid and its isomer

Zheng et al. (2008); Glamočlija et al. (2015); Abu-Reidah et al. (2021)

4.631

C₈H₆O₅

181.0151

181.0142

−4.69

–

Hydroxyisophthalic acid

Hwang et al. (2016)

4.083

C₇H₆O₄

153.0201

153.0193

−4.98

–

Dihydroxybenzoic acid

Ju et al. (2010); Nakajima et al. (2007); Glamočlija et al. (2015); Abu-Reidah et al. (2021)

8.812

C₇H₆O₃

137.0240

137.0244

3.03

–

Hydroxybenzoic acid/salicylic acid

Glamočlija et al. (2015); Abu-Reidah et al. (2021)

P12/14/16

18.866/20.741/23.446

C₉H₈O₄

179.035

179.0350

−0.1

–

Caffeic acid and its isomers

Nakajima et al. (2007); Abu-Reidah et al. (2021)

P13/26

20.360/32.721

C₁₀H₁₀O₃

177.0547

177.0557

5.72

–

4-Methoxycinnamic acid or mullein or 3,4-Dihydroxybenzalacetone

Nakajima et al. (2007); Kim et al. (2011); Abu-Reidah et al. (2021)

P17

24.275

C₉H₈O₃

163.0405

163.0401

−2.64

–

Coumaric acid

Abu-Reidah et al. (2021); Zheng et al. (2009); Kim et al. (2008)

P9/19

17.406/24.939

C₈H₈O₄

167.0345

167.035

2.87

–

Dihydroxyphenylacetic acid

Ju et al. (2010); Abu-Reidah et al. (2021)

Homogentisic acid

Kim et al. (2008)

Vanillic acid

Ju et al. (2010)

P20

26.515

C₉H₈O₅

195.029

195.0299

4.58

–

4-Methoxyisophthalic acid

Chang et al. (2022)

P21

28.208

C₁₄H₁₀O₆

273.0400

273.0405

1.68

–

6,6′-Dihydroxy-(1,1′-biphenyl)-3,3′-dicarboxylic acid

Hwang et al. (2016)

P23

30.547

C₁₅H₂₀O₉

343.1026

343.1035

2.49

Syringic acid rhamnoside

–

P24/57/70

31.111/50.109/57.193

C₉H₁₀O₅

197.0449

197.0455

3.27

–

Hydroxy dimethoxybenzoic acid/Syringic acid

Mazurkiewicz (2006); Hwang et al. (2016); Abu-Reidah et al. (2021); Zheng et al. (2009)

P28

33.965

C₁₁H₁₄O₅

225.0777

227.0768

−3.77

–

Methylgallate

Chang et al. (2022)

P48

46.907

C₂₂H₂₆O₁₁

465.138

465.1402

4.8

Agnuside

–

P34/47

41.050/46.873

C₁₀H₁₀O₄

193.051

193.0506

−1.89

–

cis/trans Ferulic acid

Kim et al. (2008); Abu-Reidah et al. (2021)

P50

48.433

C₁₈H₂₂O₁₀

397.1141

397.114

−0.2

Sinapoylquinic acid

–

P52

48.533

C₂₅H₃₀O₁₄

553.1566

553.1563

−0.58

Lippioside II

–

P53

49.196

C₂₅H₃₂O₁₃

539.1788

539.177

−3.31

Oleuropein

–

P54

49.545

C₂₃H₂₈O₁₃

511.1436

511.1457

4.13

Picroside II

–

P68

56.712

C₂₅H₃₀O₁₃

537.1631

537.1614

−3.22

Grandifloroside

–

P71/72

57.608/57.907

C₂₃H₂₆O₁₃

509.1316

509.1301

−3.01

Mallophenol A and its isomer

–

P74

59.367

C₁₁H₁₂O₄

207.0663

−0.08

–

Sinapaldehyde

Chang et al. (2022)

P88

63.299

C₁₉H₂₀O₄

311.1285

311.1289

1.23

–

(9S)-Acerogenin M

Chang et al. (2022)

P89

63.747

C₃₄H₄₀O₁₈

735.2112

735.2142

4.06

Helonioside B

–

P91/93

64.428/64.892

C₃₄H₄₀O₁₈

735.2113

735.2142

3.92

Smilaside B and its isomer

–

P92

64.826

C₂₆H₃₀O₁₄

565.1556

565.1563

1.2

Jaslanceoside B

–

P110

110.636

C₃₉H₅₆O₅

603.4082

603.4055

−4.47

–

Betulin-3-O-caffeate

Wold et al. (2020)

Coumarin, quinone, anthrone, and xanthone derivatives

P10

18.817

C₉H₆O₄

177.0203

177.0193

−5.44

–

Dihydroxycoumarin

Ju et al. (2010)

P15

22.019

C₉H₆O₃

161.0246

161.0244

−1.13

Hydroxycoumarin

–

P18

24.508

C₉H₆O₂

145.0301

145.0295

−4.09

–

Coumarin

Chang et al. (2022)

P31

37.864

C₁₄H₁₀O₅

257.046

257.0455

−1.76

Dihydroxy methoxyxanthone

–

P32

37.914

C₁₁H₈O₅

219.0302

219.0299

−1.38

Purpurogallin

–

P33

40.27

C₁₄H₁₆O₇

295.0831

295.0823

−2.61

Phellodenol F

–

P36

41.697

C₁₂H₁₀O₆

249.0409

349.0405

−1.75

–

Inonotphenol A

Chang et al. (2022)

P39

42.228

C₁₂H₁₂O₅

235.0615

235.0612

−1.28

Trimethoxycoumarin

–

P42

44.866

C₁₃H₈O₇

275.0188

275.0197

3.36

Pentahydroxyxanthone

–

P43

44.949

C₁₃H₁₂O₅

247.06

247.0612

4.83

Acetyl dimethoxycoumarin

–

P45

46.425

C₁₄H₁₀O₄

241.0514

241.0506

−3.17

Leucoquinizarine

–

P51

48.466

C₁₆H₁₈O₁₀

369.0833

369.0827

−1.57

Fraxin

–

P57

50.225

C₁₂H₁₀O₄

217.0511

217.0506

−2.14

Liqcoumarin

–

P58

50.739

C₂₄H₁₈O₉

449.0882

449.0878

−0.88

Gaboroquinone A

–

P66

55.518

C₁₂H₁₄O₈

307.0465

307.0459

−1.81

Fulvic acid

–

P78

60.23

C₁₄H₈O₇

287.0212

287.0197

−5.12

Pentahydroxyanthraquinone

–

P85

65.971

C₁₄H₈O₈

303.0139

303.0146

2.44

Hexahydroxyanthraquinone

–

P97

67.779

C₂₂H₁₆O₈

407.0785

407.0772

−3.09

Hydramycin

–

Flavonoids

P22

29.535

C₁₅H₁₀O₈

317.0311

317.0303

−2.54

Myricetin

Abu-Reidah et al. (2021)

P29

34.496

C₁₉H₂₀O₆

343.1184

343.1187

0.91

Tetramethoxyflavanone

–

P30/37

34.927/41.813

C₁₅H₁₀O₇

301.0349

301.0354

1.58

–

Quercetin and its isomer

Zheng et al. (2009); Abu-Reidah et al. (2021)

P35

41.282

C₁₉H₁₈O₆

341.1021

341.1031

2.81

Tetramethoxyflavone

–

P38

42.095

C₁₈H₁₆O₆

327.0878

327.0874

−1.18

Hydroxy trimethoxyflavone

–

P41

43.406

C₁₅H₁₀O₆

285.0405

285.0412

−2.58

–

Kaempferol

Zheng et al. (2009)

P44

46.259

C₂₆H₂₈O₁₄

563.1385

563.1406

3.77

Vicenin-1

–

P46

46.608

C₂₄H₂₄O₁₄

535.1094

535.1093

−0.13

Haploside A

–

P55

49.594

C₁₉H₁₈O₅

325.1078

325.1081

1.06

Moracin P

–

P59

51.121

C₁₉H₂₀O₅

327.1237

327.1238

0.3

Tetramethoxychalcone

–

P60/63

51.95/52.975

C₂₂H₂₄O₁₂

479.1220

479.1195

−5.21

Noidesol and its isomer

–

P61

52.730

C₁₆H₁₂O₅

283.0626

283.0612

−4.94

–

Fortuneletin/5,7-dihydroxy-3′-methoxyflavone

Zheng et al. (2009)

P62

52.936

C₂₈H₃₄O₁₅

609.1820

609.1825

0.81

–

Rutin

Zheng et al. (2009)

P67

56.397

C₂₂H₂₆O₁₀

449.145

449.1453

0.71

Auriculoside

–

P69

57.177

C₂₀H₂₂O₁₀

421.1156

421.114

−3.74

Polydine

–

P73

58.255

C₁₈H₁₆O₅

311.0928

311.0925

−0.97

Trimethoxyflavone

–

P75

59.666

C₂₈H₃₂O₁₅

607.1681

607.1668

−2.07

Diosmin

–

P77

60.163

C₄₃H₄₂O₁₃

765.2562

765.2553

−1.22

Iryantherin F

–

P80/81

61.275/61.690

C₃₄H₄₂O₁₈

737.2318

737.2298

−2.66

Brutieridin and its isomer

–

P83

62.387

C₁₆H₁₄O₇

317.0658

317.0667

2.76

Dihydrorhamnetin

–

P84

62.868

C₁₅H₁₂O₅

271.0621

271.0612

−3.32

–

Naringenin

Zheng et al. (2009)

P85

62.868

C₁₉H₁₆O₆

339.088

339.0874

−1.73

Acetylafromosin

–

P86

62.951

C₁₆H₁₂O₇

315.0505

315.051

1.67

–

Methoxy tetrahydroxyflavone/Isorhamnetin

Zheng et al. (2008); Zheng et al. (2009); Abu-Reidah et al. (2021)

P87

63.25

C₂₅H₂₀O₁₀

479.0996

479.0984

−2.56

Rhodiolin

–

P90

64.096

C₃₁H₃₆O₁₅

647.2011

647.1981

−4.56

Embigenin 2″-(2‴-acetylrhamnoside)

–

P94

65.606

C₁₆H₁₂O₆

299.058

299.0561

−6.29

Methoxyl trihydroxylflavonol

–

P96

67.696

C₁₅H₁₀O₆

285.0424

285.0407

−7.13

–

Kaempferol or Luteolin

Zheng et al. (2009)

Styrylpyrones

P25

32.239

C₁₃H₆O₈

288.9982

288.9990

2.76

Phelligridin J

–

P27

33.334

C₁₃H₁₀O₅

245.0457

245.0455

−0.62

–

Hispidin

Abu-Reidah et al. (2021)

P40

43.256

C₂₈H₁₈O₅

433.1185

433.1081

−0.81

–

Methylinoscavin C

Zheng et al. (2011)

P64/106

54.555/86.329

C₂₅H₁₈O₉

461.0884

461.0878

−1.29

Inoscavin A and inonobulin C

–

P65

55.136

C₂₅H₂₀O₉

463.1017

463.1035

3.78

–

Davallialactone

Zhao et al. (2015b)

P79

60.711

C₁₃H₈O₆

259.0253

259.0248

−1.88

Phelligridin A

–

P82

62.171

C₂₂H₁₆O₇

391.0825

391.0823

−0.44

Phelliribsin A

–

P98

74.117

C₂₃H₁₄O₁₀

449.0503

449.0514

2.49

–

Inonoblin B

Lee et al. (2007)

P99

79.344

C₂₁H₁₆O₈

395.0776

395.0772

−0.91

Inoscavin D

–

P100

80.024

C₂₂H₁₈O₈

409.0953

409.0929

−5.87

Methylinoscavin D

–

P101

83.126

C₂₅H₁₄O₁₀

473.0508

473.0514

1.31

–

Phelligridin E

Lee et al. (2007)

P102

83.939

C₂₀H₁₂O₈

379.0459

0.11

–

Phelligridin D

Lee et al. (2007)

P103

84.835

C₂₃H₁₆O₈

420.0787

419.0772

−3.47

–

Inoscavin C

Zhao et al. (2015b)

P104

85.814

C₃₂H₁₈O₁₂

593.0725

0.08

–

Phelligridin G

Lee et al. (2007)

P106

86.329

C₂₅H₁₈O₉

461.0884

461.0878

−1.29

–

Inonobulin C

Lee et al. (2007)

P107

87.142

C₂₀H₁₂O₇

363.0505

363.0510

1.45

–

Phelligridin C

Lee et al. (2007)

Others

7.335

C₇H₆O₄

153.0201

153.0193

−4.98

–

2,6-Dimethoxyphenol

Mazurkiewicz (2006)

7.352

C₆H₆O₂

109.0290

109.0295

4.57

–

Resorcinol

Mazurkiewicz (2006)

10.189

C₇H₆O₃

137.0239

137.0244

3.75

–

Dihydroxybenzaldehyde

Nakajima et al. (2007); Zheng et al. (2008); Kim et al. (2011); Liu et al. (2014)

P11

18.833

C₈H₈O₂

135.0449

135.0452

1.86

Hydroxy phenylacetaldehyde

–

P49

47.355

C₂₂H₂₈O₁₀

451.1610

−0.06

–

Erythro-4,7,9,9′-tetrahydroxy-3,5,3′,5′-tetramethoxy-8-O-4′-neolignane

Chang et al. (2022)

P76

59.666

C₂₀H₂₂O₉

405.1221

405.1191

−7.37

Astringin

–

P108

91.406

C₁₉H₂₂O₃

297.1487

297.1496

3.08

–

(−)-(S)-acerogenin B

Chang et al. (2022)

P109

109.657

C₂₆H₃₈O₂

381.2797

381.2799

0.53

Desmethyl tocotrienol

–

P111

113.938

C₂₈H₄₂O₂

409.3118

409.3112

−1.45

β/γ-Tocotrienol

–

**Table 2.** Chemical constituents (fatty acids, aromatic acids, and related derivatives) of chaga extract scanned by HPLC-ESI-TOF-MS
Compound no.	t_R (min)	Formula	[M-H]⁻/[2M-H]⁻ (m/z)	Compounds detected in current study
Fatty acids, aromatic acid, and related derivatives (F)
F1	10.902	C₈H₆O₄	165.019	165.0193	2	Phthalic Acid	–
F2	14.918	C₇H₆O₂	121.0300	121.0295	−4.07	Benzoic acid	–
F3	92.219	C₁₈H₃₄O₅	329.2359	329.2333	−7.73	Trihydroxyoctadecenoic acid	–
F4	95.471	C₁₇H₂₆O₄	293.1764	293.1758	−1.93	Heptadecatrienedioic acid	–
F5	96.081	C₁₈H₃₂O₄	311.2206	311.2228	6.99	Octadecadienedioic acid	–
F6	96.848	C₁₈H₃₄O₄	313.2366	313.2384	5.83	–	Octadecanedioic acid	Shcherbakov et al. (2022)
F7/8/10	99.917/100.448/101.228	C₁₈H₃₀O₃	293.2100	293.2122	7.54	Hydroxylinolenic acid and its isomers	–
F9	100.730	C₁₈H₃₂O₃	295.2287	295.2279	−2.01	Hydroxylinoleic acid	–
F11	101.875	C₁₉H₃₂O₄	323.2211	323.2228	5.19	Nonadecadienedioic acid	–
F12	102.340	C₁₂H₂₄O₂	199.1713	199.1704	−4.73	–	Lauric acid	Shcherbakov et al. (2022)
F13	103.169	C₁₈H₃₄O₃	297.2433	297.2435	0.73	Hydroxyoleic acid	–
F14	105.940	C₁₅H₃₀O₃	257.2111	257.2122	4.33	Hydroxypentadecanoic acid	–
F15	107.699	C₁₄H₂₈O₂	227.2014	227.2017	1.11	–	Myristic acid	Shcherbakov et al. (2022)
							Ethyl dodecanoate	Sun et al. (2011)
F16	107.848	C₂₀H₃₀O₂	301.2188	301.2173	−4.95	Eicosapentaenoic acid
F17	108.296	C₁₆H₃₂O₃	271.2293	271.2279	−5.26	–	2-Hydroxyhexadecanoic acid	Shcherbakov et al. (2022)
F18	108.595	C₁₆H₃₀O₂	253.2185	253.2173	−4.71	–	Palmitoleic acid	Shcherbakov et al. (2022)
F19	108.910	C₂₀H₃₈O₄	341.2692	341.2697	1.56	–	Eicosanedioic acid	Shcherbakov et al. (2022)
F20	109.308	C₁₈H₃₀O₂	277.2161	277.2173	4.33	–	Linolenic acid	Kahlos et al. (1989); Shcherbakov et al. (2022)
F21	109.790	C₁₅H₃₀O₂	241.2176	241.2173	−1.22	–	Pentadecanoic acid	Shcherbakov et al. (2022)
F22	109.922	C₁₈H₃₂O₂	279.2334	279.233	−1.59	–	Linoleic acid	Sun et al. (2011)
F23	110.553	C₁₇H₃₂O₂	267.2323	267.2330	2.44	–	Heptadecenoic acid	Shcherbakov et al. (2022)
F24	110.768	C₁₈H₃₆O₂	283.2642	283.2643	0.19	–	Stearic acid	Shcherbakov et al. (2022)
F25/33/41/48/52	111.747/114.634/116.957/118.152/118.965	C₁₆H₃₂O₂	255.233	255.233	−0.18	–	Palmitic acid	Shcherbakov et al. (2022)
							Ethyl tetradecanoate	Sun et al. (2011)
F26	112.029	C₁₈H₃₆O₃	299.2608	299.2592	−5.43	Hydroxystearic acid	–
F27	112.278	C₁₈H₃₄O₂	281.2501	281.2486	−5.3	–	Oleic acid	Shcherbakov et al. (2022)
F28	112.71	C₁₈H₃₄O₂	281.2505	281.2486	−6.72	–	Vaccenic acid	Shcherbakov et al. (2022)
F29	112.942	C₂₄H₃₈O₄	389.2698	389.2697	−0.17	–	Di-iso-octyl phthalate	Sun et al. (2011)
F30/32	112.809/113.357	C₁₇H₃₄O₂	269.2509	269.2486	−8.5	–	Heptadecanoic acid/margaric acid	Shcherbakov et al. (2022)
							Ethyl pentadecanoate	Sun et al. (2011)
F31	113.191	C₂₀H₃₆O₂	307.2627	307.2643	5.04	–	Ethyl linoleate	Sun et al. (2011)
F34/42/47/53	114.900/117.090/118.069/119.015	C₁₈H₃₆O₂	283.2648	283.2643	−1.92	–	Ethyl hexadecanoate	Sun et al. (2011)
F35	114.983	C₂₀H₄₀O₃	327.2895	327.2905	2.95	Hydroxyarachidic acid	–
F36	115.198	C₂₀H₃₈O₂	309.2785	309.2799	4.52	–	Isopropyl linoleate	Sun et al. (2011)
F37/38	115.746/116.211	C₁₉H₃₈O₂	297.2783	297.2799	5.39	–	Nonadecanoic acid	Shcherbakov et al. (2022)
							Ethyl heptadecanoate	Sun et al. (2011)
F39	116.277	C₂₁H₄₂O₃	341.3057	341.3061	1.22	Hydroxyheneicosanoic acid
F40	116.393	C₂₃H₄₄O₃	367.3219	367.3218	−0.36	–	Hydroxytricosenoic acid	Shcherbakov et al. (2022)
F43	117.438	C₂₀H₄₀O₂	311.2939	311.2956	5.3	–	Arachidic acid	Shcherbakov et al. (2022)
							Ethyl octadecenoate	Sun et al. (2011)
F44	117.538	C₂₂H₄₄O₃	355.3228	355.3218	−2.89	–	Hydroxydocosanoic acid	Shcherbakov et al. (2022)
F45	117.588	C₂₄H₄₆O₃	381.3386	381.3374	−3.09	Hydroxytetracosenoic acid	–
F46	117.704	C₂₂H₄₂O₂	337.3118	337.3112	−1.76	Docosenoic Acid	–
F48	118.533	C₂₃H₄₆O₃	369.3390	369.3374	−4.27	–	Hydroxytricosanoic acid	Shcherbakov et al. (2022)
F49	118.666	C₂₅H₄₈O₃	395.3560	395.3531	−7.39	Hydroxypentacosenoic acid
F50	118.681	C₂₁H₄₂O₂	325.3132	325.3112	−6.12	–	Heneicosanoic acid	Shcherbakov et al. (2022)
F51	118.743	C₂₃H₄₄O₂	351.3272	351.3269	−0.98	–	Tricosenoic acid	Shcherbakov et al. (2022)
F54	119.595	C₂₄H₄₈O₃	383.3551	383.3531	−5.28	–	Hydroxytetracosanoic acid	Shcherbakov et al. (2022)
F55	119.728	C₂₂H₄₄O₂	339.3273	339.3269	−1.31	–	Docosanoic Acid/behenic acid	Shcherbakov et al. (2022)
F56	119.778	C₂₆H₅₀O₃	409.3723	409.3687	−8.73	Hydroxyhexacosenoic acid	–
F57	119.911	C₂₄H₄₆O₂	365.3448	365.3425	−6.27	–	Tetracosenoic acid	Shcherbakov et al. (2022)
F58	120.525	C₂₅H₅₀O₃	397.371	397.3687	−5.73	–	Hydroxypentacosanoic acid	Shcherbakov et al. (2022)
F59	120.641	C₂₃H₄₆O₂	353.3446	353.3425	−5.91	–	Tricosanoic acid	Shcherbakov et al. (2022)
F60	121.420	C₂₆H₅₂O₃	411.3865	411.3844	−5.17	–	Hydroxyhexacosanoic acid	Shcherbakov et al. (2022)
F61	121.537	C₂₄H₄₈O₂	367.3600	367.3582	−5.01	–	Lignoceric acid	Shcherbakov et al. (2022)
F62	121.570	C₂₆H₅₀O₂	393.3735	393.3738	0.77	–	Hexacosenoic acid	Shcherbakov et al. (2022)
F63	122.316	C₂₇H₅₄O₃	425.3995	425.4000	1.22	Hydroxyheptacosanoic acid	–

Table 2. Chemical constituents (fatty acids, aromatic acids, and related derivatives) of chaga extract scanned by HPLC-ESI-TOF-MS

Compound no.

t_R (min)

Formula

[M-H]⁻/[2M-H]⁻ (m/z)

Compounds detected in current study

Measured

Calculated

Error (ppm)

Newly detected compounds

Known compounds

Reference

Fatty acids, aromatic acid, and related derivatives (F)

10.902

C₈H₆O₄

165.019

165.0193

Phthalic Acid

–

14.918

C₇H₆O₂

121.0300

121.0295

−4.07

Benzoic acid

–

92.219

C₁₈H₃₄O₅

329.2359

329.2333

−7.73

Trihydroxyoctadecenoic acid

–

95.471

C₁₇H₂₆O₄

293.1764

293.1758

−1.93

Heptadecatrienedioic acid

–

96.081

C₁₈H₃₂O₄

311.2206

311.2228

6.99

Octadecadienedioic acid

–

96.848

C₁₈H₃₄O₄

313.2366

313.2384

5.83

–

Octadecanedioic acid

Shcherbakov et al. (2022)

F7/8/10

99.917/100.448/101.228

C₁₈H₃₀O₃

293.2100

293.2122

7.54

Hydroxylinolenic acid and its isomers

–

100.730

C₁₈H₃₂O₃

295.2287

295.2279

−2.01

Hydroxylinoleic acid

–

F11

101.875

C₁₉H₃₂O₄

323.2211

323.2228

5.19

Nonadecadienedioic acid

–

F12

102.340

C₁₂H₂₄O₂

199.1713

199.1704

−4.73

–

Lauric acid

Shcherbakov et al. (2022)

F13

103.169

C₁₈H₃₄O₃

297.2433

297.2435

0.73

Hydroxyoleic acid

–

F14

105.940

C₁₅H₃₀O₃

257.2111

257.2122

4.33

Hydroxypentadecanoic acid

–

F15

107.699

C₁₄H₂₈O₂

227.2014

227.2017

1.11

–

Myristic acid

Shcherbakov et al. (2022)

Ethyl dodecanoate

Sun et al. (2011)

F16

107.848

C₂₀H₃₀O₂

301.2188

301.2173

−4.95

Eicosapentaenoic acid

F17

108.296

C₁₆H₃₂O₃

271.2293

271.2279

−5.26

–

2-Hydroxyhexadecanoic acid

Shcherbakov et al. (2022)

F18

108.595

C₁₆H₃₀O₂

253.2185

253.2173

−4.71

–

Palmitoleic acid

Shcherbakov et al. (2022)

F19

108.910

C₂₀H₃₈O₄

341.2692

341.2697

1.56

–

Eicosanedioic acid

Shcherbakov et al. (2022)

F20

109.308

C₁₈H₃₀O₂

277.2161

277.2173

4.33

–

Linolenic acid

Kahlos et al. (1989); Shcherbakov et al. (2022)

F21

109.790

C₁₅H₃₀O₂

241.2176

241.2173

−1.22

–

Pentadecanoic acid

Shcherbakov et al. (2022)

F22

109.922

C₁₈H₃₂O₂

279.2334

279.233

−1.59

–

Linoleic acid

Sun et al. (2011)

F23

110.553

C₁₇H₃₂O₂

267.2323

267.2330

2.44

–

Heptadecenoic acid

Shcherbakov et al. (2022)

F24

110.768

C₁₈H₃₆O₂

283.2642

283.2643

0.19

–

Stearic acid

Shcherbakov et al. (2022)

F25/33/41/48/52

111.747/114.634/116.957/118.152/118.965

C₁₆H₃₂O₂

255.233

−0.18

–

Palmitic acid

Shcherbakov et al. (2022)

Ethyl tetradecanoate

Sun et al. (2011)

F26

112.029

C₁₈H₃₆O₃

299.2608

299.2592

−5.43

Hydroxystearic acid

–

F27

112.278

C₁₈H₃₄O₂

281.2501

281.2486

−5.3

–

Oleic acid

Shcherbakov et al. (2022)

F28

112.71

C₁₈H₃₄O₂

281.2505

281.2486

−6.72

–

Vaccenic acid

Shcherbakov et al. (2022)

F29

112.942

C₂₄H₃₈O₄

389.2698

389.2697

−0.17

–

Di-iso-octyl phthalate

Sun et al. (2011)

F30/32

112.809/113.357

C₁₇H₃₄O₂

269.2509

269.2486

−8.5

–

Heptadecanoic acid/margaric acid

Shcherbakov et al. (2022)

Ethyl pentadecanoate

Sun et al. (2011)

F31

113.191

C₂₀H₃₆O₂

307.2627

307.2643

5.04

–

Ethyl linoleate

Sun et al. (2011)

F34/42/47/53

114.900/117.090/118.069/119.015

C₁₈H₃₆O₂

283.2648

283.2643

−1.92

–

Ethyl hexadecanoate

Sun et al. (2011)

F35

114.983

C₂₀H₄₀O₃

327.2895

327.2905

2.95

Hydroxyarachidic acid

–

F36

115.198

C₂₀H₃₈O₂

309.2785

309.2799

4.52

–

Isopropyl linoleate

Sun et al. (2011)

F37/38

115.746/116.211

C₁₉H₃₈O₂

297.2783

297.2799

5.39

–

Nonadecanoic acid

Shcherbakov et al. (2022)

Ethyl heptadecanoate

Sun et al. (2011)

F39

116.277

C₂₁H₄₂O₃

341.3057

341.3061

1.22

Hydroxyheneicosanoic acid

F40

116.393

C₂₃H₄₄O₃

367.3219

367.3218

−0.36

–

Hydroxytricosenoic acid

Shcherbakov et al. (2022)

F43

117.438

C₂₀H₄₀O₂

311.2939

311.2956

5.3

–

Arachidic acid

Shcherbakov et al. (2022)

Ethyl octadecenoate

Sun et al. (2011)

F44

117.538

C₂₂H₄₄O₃

355.3228

355.3218

−2.89

–

Hydroxydocosanoic acid

Shcherbakov et al. (2022)

F45

117.588

C₂₄H₄₆O₃

381.3386

381.3374

−3.09

Hydroxytetracosenoic acid

–

F46

117.704

C₂₂H₄₂O₂

337.3118

337.3112

−1.76

Docosenoic Acid

–

F48

118.533

C₂₃H₄₆O₃

369.3390

369.3374

−4.27

–

Hydroxytricosanoic acid

Shcherbakov et al. (2022)

F49

118.666

C₂₅H₄₈O₃

395.3560

395.3531

−7.39

Hydroxypentacosenoic acid

F50

118.681

C₂₁H₄₂O₂

325.3132

325.3112

−6.12

–

Heneicosanoic acid

Shcherbakov et al. (2022)

F51

118.743

C₂₃H₄₄O₂

351.3272

351.3269

−0.98

–

Tricosenoic acid

Shcherbakov et al. (2022)

F54

119.595

C₂₄H₄₈O₃

383.3551

383.3531

−5.28

–

Hydroxytetracosanoic acid

Shcherbakov et al. (2022)

F55

119.728

C₂₂H₄₄O₂

339.3273

339.3269

−1.31

–

Docosanoic Acid/behenic acid

Shcherbakov et al. (2022)

F56

119.778

C₂₆H₅₀O₃

409.3723

409.3687

−8.73

Hydroxyhexacosenoic acid

–

F57

119.911

C₂₄H₄₆O₂

365.3448

365.3425

−6.27

–

Tetracosenoic acid

Shcherbakov et al. (2022)

F58

120.525

C₂₅H₅₀O₃

397.371

397.3687

−5.73

–

Hydroxypentacosanoic acid

Shcherbakov et al. (2022)

F59

120.641

C₂₃H₄₆O₂

353.3446

353.3425

−5.91

–

Tricosanoic acid

Shcherbakov et al. (2022)

F60

121.420

C₂₆H₅₂O₃

411.3865

411.3844

−5.17

–

Hydroxyhexacosanoic acid

Shcherbakov et al. (2022)

F61

121.537

C₂₄H₄₈O₂

367.3600

367.3582

−5.01

–

Lignoceric acid

Shcherbakov et al. (2022)

F62

121.570

C₂₆H₅₀O₂

393.3735

393.3738

0.77

–

Hexacosenoic acid

Shcherbakov et al. (2022)

F63

122.316

C₂₇H₅₄O₃

425.3995

425.4000

1.22

Hydroxyheptacosanoic acid

–

**Table 3.** Chemical constituents (terpenoids) of chaga extract scanned by HPLC-ESI-TOF-MS
Compound no.	t_R (min)	Formula	[M-H]⁻/[2M-H]⁻ (m/z)	Compounds detected in current study
Terpenoids (T)
T1	3.287	C₁₈H₂₂O₁₁	413.1093	413.1089	−0.88	Asperuloside	–
T2	48.665	C₂₀H₂₄O₁₀	423.1301	423.1297	−1.01	Ginkgolide B	–
T3	67.746	C₂₈H₄₂O₈	505.2837	505.2807	−5.94	Kidjoladinin	–
T4	73.171	C₂₈H₄₆O₈	509.3153	509.312	−6.48	Palythoalone A	–
T5/6/7	74.897/75.710/78.796	C₃₁H₅₀O₉	565.3401	565.3382	−3.34	24-Methylene-lanosta-7,9(11)-dien-3β-ol and its isomers	–
T8	79.41	C₃₁H₅₀O₈	549.3435	549.3433	−0.38	Laccijalaric ester II	–
T9	80.007	C₃₀H₄₆O₈	533.3123	533.312	−0.58	Platycogenic acid A	–
T10	80.372	C₃₀H₄₈O₇	519.3338	519.3327	−2.06	Platycodigenin	–
T11	81.816	C₃₀H₅₂O₈	539.3579	539.3589	1.93	Longilene peroxide	–
T12/22	81.965/86.810	C₃₈H₄₆O₄	565.3321	565.3323	0.41	Dichapetalin A and its isomers	–
T13	82.28	C₃₀H₄₈O₇	519.3337	519.3327	−1.87	Trachelosperogenin B	–
T14/16/21	83.110/84.835/86.698	C₃₀H₄₆O₇	517.3205	517.3171	−6.6	Perulactone	–
T15	83.326	C₃₈H₄₆O₂	533.3474	533.3484	1.83	1′,2′,5′-Tridemethyl-β,phi-carotene-3′-carboxylic acid	–
T17	85.167	C₃₀H₄₈O₆	503.339	503.3378	−2.35	–	Inonotusal H	Kou et al. (2021)
T19	85.532	C₃₁H₄₈O₈	547.3283	547.3276	−1.2	Stereonsteroid D	–
T20/26	86.163/90.261	C₃₁H₅₀O₈	549.3453	549.3433	−3.65	Methyl 3-(β-D-allopyranosyloxy)chol-5-en-24-oate	–
T23	87.639	C₃₀H₅₀O₈	537.3453	537.3433	−3.73	Secodehydrothyrsiferol	–
T24/28/34/56	88.170/90.759/93.662/102.323	C₃₀H₄₈O₅	487.3467	487.3429	−7.78	–	Inonotusol D or C or E	Liu et al. (2014)
							Inonotusane E	Zhao et al. (2016)
T25	89.979	C₁₅H₂₂O₄	265.1427	265.1445	6.89	Fascicularone J	–
T27	90.726	C₂₉H₄₄O₇	503.2977	503.3014	7.39	Capitasterone	–
T29	91.140	C₂₈H₄₀O₆	471.2776	471.2752	−5.06	Ajugin B	–
T30	91.754	C₂₈H₃₈O₆	469.2595	469.2596	0.13	Withanone	–
T31/32	91.754/92.932	C₃₁H₅₀O₇	533.3481	533.3484	0.52	Viburnol F	–
T33	93.214	C₂₈H₄₂O₆	473.2917	473.2909	−1.77	Cynanchogenin	–
T35	93.762	C₂₀H₂₄O₃	311.1656	311.1653	−1.06	Triptophenolide	–
T36	93.994	C₂₉H₄₆O₇	505.3151	505.3171	3.91	Ajugasteron B	–
T37	94.210	C₃₀H₄₆O₆	501.3191	501.3222	6.1	Medicagenic Acid	–
T38	94.426	C₂₈H₄₀O₅	455.2801	455.2803	0.43	Tolypodiol	–
T39	94.658	C₂₈H₄₂O₅	457.295	457.2959	2.07	Strophasterol C	–
T40/43	95.089/95.753	C₃₀H₄₆O₅	485.3301	485.3272	−5.86	3β,15,223-trihydroxylanosta-7,9(11),24-trien-26-oic acid/Methyl ganolucidate	–
T41	95.355	C₂₃H₃₄O₇	421.2232	4212232	−0.05	Nigakilactone J	–
T42	95.388	C₂₈H₄₂O₅	457.2957	457.2959	0.54	5β,6β-epoxy-3β,7α,9α-trihydroxy-(22E,24R)-ergosta-8(14),22-dien-15-one	–
T44	95.852	C₃₀H₄₄O₆	499.3050	499.3065	3.02	Ganolucidic acid D	–
T45	96.383	C₂₁H₂₆O₃	325.1806	325.1809	0.98	Neridienone A	–
T46/53/57/63	97.130/101.378/102.257/105.708	C₃₀H₄₆O₄	469.3346	469.3323	−4.82	–	Inonotsulide B	Taji et al. (2007)
							Inonotusane F/Chagabusone A	Baek et al. (2018)
T47/49	98.540/99.951	C₃₀H₅₀O₅	489.3611	489.3585	−5.2	(7b,15a)-7,15-dihydroxysoyasapogenol B	–
T48	98.806	C₂₂H₂₈O₃	339.1988	339.1966	−6.56	17β-Hydroxy-2-(hydroxymethyl)-17α-pregna-1,4-dien-20-yn-3-one	–
T50	100.365	C₂₇H₄₂O₄	429.303	429.301	−4.57	–	Inonotusane C
T51	101.129	C₃₀H₄₆O₄	319.2272	319.2279	2.09	–	17-Hydroxy-ent-atisan-19-oic acid	Ying et al. (2014)
T52	101.477	C₂₁H₂₈O₂	311.2023	311.2017	−2.07	–	Inonotusic acid	Liu et al. (2014)
T54	101.709	C₂₇H₄₀O₄	427.2853	427.2854	0.19	Dimethyl 4β,14α-dirnethyl-3-nor-5α-pregn-8-ene-4α,20α-dicarboxylate	–
T55	102.307	C₁₅H₂₂O₃	249.1481	249.1496	6.07	–	3β-Hydroxycinnamolide	Ying et al. (2014)
T58	103.203	C₃₀H₄₆O₄	469.3364	469.3323	−8.65	Polyporenic acid C	–
T59	103.551	C₂₉H₄₄O₄	455.3185	455.3167	−3.98	8α-epidioxyergosta-6,22-dien-3β-formate	–
T60/61/62/64/65	104.099/104.596/105.194/105.924/106.654	C₃₀H₄₈O₄	471.3501	471.348	−4.48	–	Inonotsulide A	Taji et al. (2007)
							Saponaceoic acid I	Zhao et al. (2016)
							Inonotusol I	Kou et al. (2021)
							Inonotsulide A	Taji et al. (2008a)
							Saponaceoic acid I	Zhao et al. (2016)
T66	107.832	C₃₉H₅₈O₅	605.4253	605.4211	−6.85	Karavoate M	–
T67	108.612	C₃₁H₄₈O₄	483.3514	483.348	−7.05	Methyl polyporenic acid C	–
T68/77/81/89/96/105/107	108.595/112.179/112.892/114.203/114.601/116.874/118.915	C₃₀H₄₈O₃	455.3526	455.3531	1.03	–	Trametenolic acid	Kim et al. (2011)
							Ganodecochlearin A	Zhao et al. (2016)
							Oleanolic acid/Betulinic acid	Zhao et al. (2015a)
							Lanosta-7,9(11),23E-trien-3β,22R,25-triol	Taji et al. (2008b)
							Inonotusol G	Liu et al. (2014)
							Inonotsutriol C	Taji et al. (2008a)
							Inonotsuoxodiol A	Handa et al. (2010)
T69	109.093	C₂₅H₃₆O₂	367.2658	367.2643	−4.2	Variecolin	–
T70	109.491	C₂₈H₄₄O₆	475.3091	475.3065	−5.43	(20S,22R,24R)-16,22-epoxy-3β,14α,23β,25-tetrahydroxyergost-7-en-6-one	–
P110	110.636	C₃₉H₅₆O₅	603.4082	603.4055	−4.47	–	Betulin-3-O-caffeate	Wold et al. (2020)
T72	110.785	C₂₈H₄₂O₄	441.3040	441.3010	−6.71	Eringiacetal B	–
T74	111.067	C₂₈H₄₄O₅	459.3131	459.3116	−3.26	Polyporusterone G	–
T71/75	109.574/111.349	C₃₀H₄₆O₃	453.3381	453.3374	−1.5	–	3β-Hydroxylanosta-8,24-diene-21,23-lactone	Shin et al. (2000)
							3β-Hydroxylanosta-7,9(11),24-trien-21-oic acid	Zhao et al. (2015a)
							Inonotsulide C	Taji et al. (2007)
T76	111.714	C₃₉H₅₆O₅	603.4077	603.4055	−3.64	Celastrusin A	–
T78/79	112.428/112.71	C₃₂H₅₀O₄	497.3628	497.3636	1.67	6α-Hydroxypolyporenic acid C and its isomers	–
T80/84	112.826/113.556	C₃₉H₅₆O₄	587.4124	587.4106	−3.09	Lupeol caffeate	–
T82	113.076	C₃₉H₅₄O₅	601.3909	601.3898	−1.75	3-(p-Coumaroyl) ursolic Acid	–
T83	113.224	C₃₁H₅₀O₃	469.3711	469.3687	−5.06	–	Methyl trametenolate	Shin et al. (2000)
T85	113.772	C₂₉H₄₆O₆	489.3209	489.3222	2.58	(17R, 20R)-7β,20,23,29-tetrahydroxy-28-norlupane-3,16-dione	–
T86	113.821	C₂₇H₄₆O₄	433.3322	433.3323	0.31	2,3-Secocholestan-2,3-dioic acid	–
T87	113.888	C₅₅H₇₃O₄	796.5408	796.5436	3.52	Unknown pentaterpenoids	–
T88	114.153	C₄₁H₅₄O₅	625.3909	625.3898	−1.68	Furostan-3,26-diyl dibenzoate	–
T90/95	114.286/114.568	C₄₃H₇₃O₁₁	764.5114	764.508	−4.43	Unknown triterpenoid glycoside	–
T91	114.352	C₂₉H₄₆O₅	473.3250	473.3272	4.74	Trichiol C	–
T73/92	110.785/114.369	C₃₀H₄₈O₆	503.3396	503.3378	−3.54	–	Inonotusol A or Inonotusol B	Liu et al. (2014)
T93/104	114.385/116.824	C₃₉H₅₈O₅	605.4219	605.4211	−1.24	3β,20(s),26-trihydroxydammar-24-ene-3-O-p-coumarate and its isomers	–
T94	114.568	C₃₈H₆₇O₇	634.4824	634.4814	−1.57	Unknown triterpenoid glycoside	–
T97	114.767	C₄₀H₆₀O₁₂	731.3989	731.4012	3.14	Unknown triterpenoid glycoside	–
T98	115.298	C₃₉H₆₈O₁₀	695.4752	695.474	−1.76	5α-Cholestanyl 3-O-(α-L-fucopyranosyl)-β-D-Galactopyranoside	–
T99	115.547	C₃₅H₅₈O₈	605.4092	605.4059	−5.45	Unknown triterpenoid glycoside	–
T100	115.646	C₄₀H₄₈O₄	591.3457	591.348	3.86	7,8,7′,8′-Tetradehydroastaxanthin	–
T101/106	115.995/118.301	C₃₉H₅₈O₄	589.4284	589.4262	−3.67	β-Sitosteryl ferulate and its isomers	–
T102	116.559	C₃₁H₅₀O₅	501.3557	501.3585	5.67	Ganoderiol I	–
T103	116.592	C₃₂H₅₂O₆	531.3683	531.3691	1.53	Fomitopinic acid B	–
T108	122.267	C₃₀H₅₀O	425.3792	425.3789	−0.73	–	Lanosterol	Kim et al. (2011)

Table 3. Chemical constituents (terpenoids) of chaga extract scanned by HPLC-ESI-TOF-MS

Compound no.

t_R (min)

Formula

[M-H]⁻/[2M-H]⁻ (m/z)

Compounds detected in current study

Measured

Calculated

Error (ppm)

Newly detected compounds

Known compounds

Reference

Terpenoids (T)

3.287

C₁₈H₂₂O₁₁

413.1093

413.1089

−0.88

Asperuloside

–

48.665

C₂₀H₂₄O₁₀

423.1301

423.1297

−1.01

Ginkgolide B

–

67.746

C₂₈H₄₂O₈

505.2837

505.2807

−5.94

Kidjoladinin

–

73.171

C₂₈H₄₆O₈

509.3153

509.312

−6.48

Palythoalone A

–

T5/6/7

74.897/75.710/78.796

C₃₁H₅₀O₉

565.3401

565.3382

−3.34

24-Methylene-lanosta-7,9(11)-dien-3β-ol and its isomers

–

79.41

C₃₁H₅₀O₈

549.3435

549.3433

−0.38

Laccijalaric ester II

–

80.007

C₃₀H₄₆O₈

533.3123

533.312

−0.58

Platycogenic acid A

–

T10

80.372

C₃₀H₄₈O₇

519.3338

519.3327

−2.06

Platycodigenin

–

T11

81.816

C₃₀H₅₂O₈

539.3579

539.3589

1.93

Longilene peroxide

–

T12/22

81.965/86.810

C₃₈H₄₆O₄

565.3321

565.3323

0.41

Dichapetalin A and its isomers

–

T13

82.28

C₃₀H₄₈O₇

519.3337

519.3327

−1.87

Trachelosperogenin B

–

T14/16/21

83.110/84.835/86.698

C₃₀H₄₆O₇

517.3205

517.3171

−6.6

Perulactone

–

T15

83.326

C₃₈H₄₆O₂

533.3474

533.3484

1.83

1′,2′,5′-Tridemethyl-β,phi-carotene-3′-carboxylic acid

–

T17

85.167

C₃₀H₄₈O₆

503.339

503.3378

−2.35

–

Inonotusal H

Kou et al. (2021)

T19

85.532

C₃₁H₄₈O₈

547.3283

547.3276

−1.2

Stereonsteroid D

–

T20/26

86.163/90.261

C₃₁H₅₀O₈

549.3453

549.3433

−3.65

Methyl 3-(β-D-allopyranosyloxy)chol-5-en-24-oate

–

T23

87.639

C₃₀H₅₀O₈

537.3453

537.3433

−3.73

Secodehydrothyrsiferol

–

T24/28/34/56

88.170/90.759/93.662/102.323

C₃₀H₄₈O₅

487.3467

487.3429

−7.78

–

Inonotusol D or C or E

Liu et al. (2014)

Inonotusane E

Zhao et al. (2016)

T25

89.979

C₁₅H₂₂O₄

265.1427

265.1445

6.89

Fascicularone J

–

T27

90.726

C₂₉H₄₄O₇

503.2977

503.3014

7.39

Capitasterone

–

T29

91.140

C₂₈H₄₀O₆

471.2776

471.2752

−5.06

Ajugin B

–

T30

91.754

C₂₈H₃₈O₆

469.2595

469.2596

0.13

Withanone

–

T31/32

91.754/92.932

C₃₁H₅₀O₇

533.3481

533.3484

0.52

Viburnol F

–

T33

93.214

C₂₈H₄₂O₆

473.2917

473.2909

−1.77

Cynanchogenin

–

T35

93.762

C₂₀H₂₄O₃

311.1656

311.1653

−1.06

Triptophenolide

–

T36

93.994

C₂₉H₄₆O₇

505.3151

505.3171

3.91

Ajugasteron B

–

T37

94.210

C₃₀H₄₆O₆

501.3191

501.3222

6.1

Medicagenic Acid

–

T38

94.426

C₂₈H₄₀O₅

455.2801

455.2803

0.43

Tolypodiol

–

T39

94.658

C₂₈H₄₂O₅

457.295

457.2959

2.07

Strophasterol C

–

T40/43

95.089/95.753

C₃₀H₄₆O₅

485.3301

485.3272

−5.86

3β,15,223-trihydroxylanosta-7,9(11),24-trien-26-oic acid/Methyl ganolucidate

–

T41

95.355

C₂₃H₃₄O₇

421.2232

4212232

−0.05

Nigakilactone J

–

T42

95.388

C₂₈H₄₂O₅

457.2957

457.2959

0.54

5β,6β-epoxy-3β,7α,9α-trihydroxy-(22E,24R)-ergosta-8(14),22-dien-15-one

–

T44

95.852

C₃₀H₄₄O₆

499.3050

499.3065

3.02

Ganolucidic acid D

–

T45

96.383

C₂₁H₂₆O₃

325.1806

325.1809

0.98

Neridienone A

–

T46/53/57/63

97.130/101.378/102.257/105.708

C₃₀H₄₆O₄

469.3346

469.3323

−4.82

–

Inonotsulide B

Taji et al. (2007)

Inonotusane F/Chagabusone A

Baek et al. (2018)

T47/49

98.540/99.951

C₃₀H₅₀O₅

489.3611

489.3585

−5.2

(7b,15a)-7,15-dihydroxysoyasapogenol B

–

T48

98.806

C₂₂H₂₈O₃

339.1988

339.1966

−6.56

17β-Hydroxy-2-(hydroxymethyl)-17α-pregna-1,4-dien-20-yn-3-one

–

T50

100.365

C₂₇H₄₂O₄

429.303

429.301

−4.57

–

Inonotusane C

T51

101.129

C₃₀H₄₆O₄

319.2272

319.2279

2.09

–

17-Hydroxy-ent-atisan-19-oic acid

Ying et al. (2014)

T52

101.477

C₂₁H₂₈O₂

311.2023

311.2017

−2.07

–

Inonotusic acid

Liu et al. (2014)

T54

101.709

C₂₇H₄₀O₄

427.2853

427.2854

0.19

Dimethyl 4β,14α-dirnethyl-3-nor-5α-pregn-8-ene-4α,20α-dicarboxylate

–

T55

102.307

C₁₅H₂₂O₃

249.1481

249.1496

6.07

–

3β-Hydroxycinnamolide

Ying et al. (2014)

T58

103.203

C₃₀H₄₆O₄

469.3364

469.3323

−8.65

Polyporenic acid C

–

T59

103.551

C₂₉H₄₄O₄

455.3185

455.3167

−3.98

8α-epidioxyergosta-6,22-dien-3β-formate

–

T60/61/62/64/65

104.099/104.596/105.194/105.924/106.654

C₃₀H₄₈O₄

471.3501

471.348

−4.48

–

Inonotsulide A

Taji et al. (2007)

Saponaceoic acid I

Zhao et al. (2016)

Inonotusol I

Kou et al. (2021)

Inonotsulide A

Taji et al. (2008a)

Saponaceoic acid I

Zhao et al. (2016)

T66

107.832

C₃₉H₅₈O₅

605.4253

605.4211

−6.85

Karavoate M

–

T67

108.612

C₃₁H₄₈O₄

483.3514

483.348

−7.05

Methyl polyporenic acid C

–

T68/77/81/89/96/105/107

108.595/112.179/112.892/114.203/114.601/116.874/118.915

C₃₀H₄₈O₃

455.3526

455.3531

1.03

–

Trametenolic acid

Kim et al. (2011)

Ganodecochlearin A

Zhao et al. (2016)

Oleanolic acid/Betulinic acid

Zhao et al. (2015a)

Lanosta-7,9(11),23E-trien-3β,22R,25-triol

Taji et al. (2008b)

Inonotusol G

Liu et al. (2014)

Inonotsutriol C

Taji et al. (2008a)

Inonotsuoxodiol A

Handa et al. (2010)

T69

109.093

C₂₅H₃₆O₂

367.2658

367.2643

−4.2

Variecolin

–

T70

109.491

C₂₈H₄₄O₆

475.3091

475.3065

−5.43

(20S,22R,24R)-16,22-epoxy-3β,14α,23β,25-tetrahydroxyergost-7-en-6-one

–

P110

110.636

C₃₉H₅₆O₅

603.4082

603.4055

−4.47

–

Betulin-3-O-caffeate

Wold et al. (2020)

T72

110.785

C₂₈H₄₂O₄

441.3040

441.3010

−6.71

Eringiacetal B

–

T74

111.067

C₂₈H₄₄O₅

459.3131

459.3116

−3.26

Polyporusterone G

–

T71/75

109.574/111.349

C₃₀H₄₆O₃

453.3381

453.3374

−1.5

–

3β-Hydroxylanosta-8,24-diene-21,23-lactone

Shin et al. (2000)

3β-Hydroxylanosta-7,9(11),24-trien-21-oic acid

Zhao et al. (2015a)

Inonotsulide C

Taji et al. (2007)

T76

111.714

C₃₉H₅₆O₅

603.4077

603.4055

−3.64

Celastrusin A

–

T78/79

112.428/112.71

C₃₂H₅₀O₄

497.3628

497.3636

1.67

6α-Hydroxypolyporenic acid C and its isomers

–

T80/84

112.826/113.556

C₃₉H₅₆O₄

587.4124

587.4106

−3.09

Lupeol caffeate

–

T82

113.076

C₃₉H₅₄O₅

601.3909

601.3898

−1.75

3-(p-Coumaroyl) ursolic Acid

–

T83

113.224

C₃₁H₅₀O₃

469.3711

469.3687

−5.06

–

Methyl trametenolate

Shin et al. (2000)

T85

113.772

C₂₉H₄₆O₆

489.3209

489.3222

2.58

(17R, 20R)-7β,20,23,29-tetrahydroxy-28-norlupane-3,16-dione

–

T86

113.821

C₂₇H₄₆O₄

433.3322

433.3323

0.31

2,3-Secocholestan-2,3-dioic acid

–

T87

113.888

C₅₅H₇₃O₄

796.5408

796.5436

3.52

Unknown pentaterpenoids

–

T88

114.153

C₄₁H₅₄O₅

625.3909

625.3898

−1.68

Furostan-3,26-diyl dibenzoate

–

T90/95

114.286/114.568

C₄₃H₇₃O₁₁

764.5114

764.508

−4.43

Unknown triterpenoid glycoside

–

T91

114.352

C₂₉H₄₆O₅

473.3250

473.3272

4.74

Trichiol C

–

T73/92

110.785/114.369

C₃₀H₄₈O₆

503.3396

503.3378

−3.54

–

Inonotusol A or Inonotusol B

Liu et al. (2014)

T93/104

114.385/116.824

C₃₉H₅₈O₅

605.4219

605.4211

−1.24

3β,20(s),26-trihydroxydammar-24-ene-3-O-p-coumarate and its isomers

–

T94

114.568

C₃₈H₆₇O₇

634.4824

634.4814

−1.57

Unknown triterpenoid glycoside

–

T97

114.767

C₄₀H₆₀O₁₂

731.3989

731.4012

3.14

Unknown triterpenoid glycoside

–

T98

115.298

C₃₉H₆₈O₁₀

695.4752

695.474

−1.76

5α-Cholestanyl 3-O-(α-L-fucopyranosyl)-β-D-Galactopyranoside

–

T99

115.547

C₃₅H₅₈O₈

605.4092

605.4059

−5.45

Unknown triterpenoid glycoside

–

T100

115.646

C₄₀H₄₈O₄

591.3457

591.348

3.86

7,8,7′,8′-Tetradehydroastaxanthin

–

T101/106

115.995/118.301

C₃₉H₅₈O₄

589.4284

589.4262

−3.67

β-Sitosteryl ferulate and its isomers

–

T102

116.559

C₃₁H₅₀O₅

501.3557

501.3585

5.67

Ganoderiol I

–

T103

116.592

C₃₂H₅₂O₆

531.3683

531.3691

1.53

Fomitopinic acid B

–

T108

122.267

C₃₀H₅₀O

425.3792

425.3789

−0.73

–

Lanosterol

Kim et al. (2011)