International Journal of Analytical Chemistry

Research Article

Study on Secondary Metabolites of Endophytic Fungus, Aspergillus fumigatus, from Crocus sativus L. Guided byUHPLC-HRMS/MS-Based Molecular Network

Table 2

Characterization of isolated compounds from CEE.


No.	Identification	Formula	T_R (min)	[M-H]⁻	HPLC-MS² m/z (% base peak)

1	Emodin	C₁₅H₁₀O₅	26.32	269.0454	269.0454 (100), 241.0502 (21.99), 225.0553 (51.87), 210.0314 (5.21), 197.0602 (8.59), 185.0602 (2.81), 182.0367 (3.99)

2	Verruculogen	C₂₇H₃₃N₃O₇	28.09	510.2240	469.2944 (16.17), 451.2852 (100), 339.2335 (23.34), 255.1754 (13.42), 137.0963 (11.04), 121.065 (56.28), 83.0491 (60.42)

3	Monomethylsulochrin	C₁₈H₁₈O₇	23.51	345.0977	331.546 (1.14), 313.0715 (4.03), 267.0286 (1.2), 254.0576 (4.36), 225.0549 (2.4), 211.0402 (2.36), 181.0499 (100), 166.0263 (89.93), 138.0312 (18.23), 123.0079 (7.27), 122.0364 (16.7), 95.0127 (6.33)

4	Questin	C₁₆H₁₂O₅	20.90	283.0597	283.0597 (16.53), 270.0549 (5.81), 241.0456 (14.95), 240.0424 (100), 227.0347 (19.7), 221.7869 (2.85), 211.0397 (8.68)

5	Fumitremorgin B	C₂₇H₃₃N₃O₅	25.51	478.2342	460.2263 (34.71), 293.142 (33.93), 280.1706 (17.87), 265.1461 (42.99), 264.1396 (37.74), 196.0758 (29.76), 179.0455 (54.39), 153.0662 (83.03), 125.0347 (100)

6	Cyclotryprostatin B	C₂₃H₂₇N₃O₅	20.76	424.1885	424.1885 (37.65), 393.0933 (29.63), 366.1812 (31.15), 228.0411 (96.88), 212.355 (32.23), 211.0989 (46.84), 210.0917 (75.84), 185.0362 (36.82), 167.0453 (60.78), 154.433 (31.58), 139.0505 (100), 111.0191 (28.43)

7	Fumitremorgin C	C₂₂H₂₅N₃O₃	22.16	378.1817	366.0103 (13.84), 226.1229 (19.52), 211.0991 (57.72), 210.0918 (100), 196.0764 (35.07), 125.0345 (22.89)

8	12,13-Dihydroxyfumitremorgin C	C₂₂H₂₅N₃O₅	18.29	410.1717	320.3534 (15), 308.1407 (28.5), 303.6974 (15), 294.1198 (19), 293.1173 (100), 245.3081 (16), 227.0945 (30.5), 194.1525 (13.5), 156.9944 (14), 139.0505 (44), 128.6233 (17.5), 109.9676 (13)

9	13-Dehydroxycyclotryprostatin C	C₂₁H₂₃N₃O₃	21.64	364.1665	301.1026 (18.05), 245.0099 (15.29), 231.4112 (14.83), 209.0329 (15.1), 196.113 (50.94), 180.081 (100), 167.0453 (34.14), 128.9646 (12.37), 123.8069 (16.17),

10	Cyclotryprostatin A	C₂₂H₂₅N₃O₅	18.29	410.1717	320.3534 (15), 308.1407 (28.5), 303.6974 (15), 294.1198 (19), 293.1173 (100), 245.3081 (16), 227.0945 (30.5), 194.1525 (13.5), 156.9944 (14), 139.0505 (44), 128.6233 (17.5), 109.9676 (13)

11	6-Hydroxy-8-methoxy-3-methylisocoumarin	C₁₁H₁₀O₄	16.32	205.0500	205.05 (100), 190.0272 (8.45), 162.9824 (13.4), 149.0237 (24.47), 148.0522 (30.42), 118.9923 (24.54), 105.0335 (13.48), 75.0021 (13.39), 63.7466 (5.22)

12	10-Methyl-9Z-octadecenoic glyceride	C₂₂H₄₂O₄	39.77	369.3005	369.3005 (32.67), 351.2911 (17.38), 308.3032 (27.04), 307.3002 (100), 124.6359 (11.64), 98.5349 (11.38), 87.0824 (9.88), 72.9919 (11.66)

14	Helvolic acid	C₃₃H₄₄O₈	29.52	567.2959	527.2982 (21.61), 509.2892 (38.37), 483.3128 (20.4), 405.2802 (100), 321.2231 (10.58), 217.1237 (28.98), 199.148 (17.03), 161.0599 (15.26), 135.0806 (47.45), 121.065 (32.57)

15	Spirotryprostatin A	C₂₂H₂₅N₃O₆	21.60	426.1680	426.1680 (29.29), 270.1132 (32.67), 255.0894 (76.24), 225.0796 (60.94), 210.0559 (100), 196.0764 (34.1), 167.0457 (35.77), 154.0504 (21.46), 139.0507 (26.44), 112.0395 (41.68)