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. 2022 Mar 28;7(14):12171–12185. doi: 10.1021/acsomega.2c00544

Table 1. Chemical Annotation of Metabolites from Aspergillus spp.

compound	observed ion (m/z)^d	adduct	molecular formula	exact mass (m/z)^e	mass accuracy (ppm)
Aspergillus sp. NCA276
17-deoxy-aspergillin PZ (1)^a^,^b	386.268	[M+H]⁺	C₂₄H₃₆NO₃	386.2682	–2.0
aspergillin PZ (2)^a^,^b	402.263	[M+H]⁺	C₂₄H₃₆NO₄	402.2630	–2.2
aspochalasin D (3)^a^,^b	384.253	[M–H₂O+H]⁺	C₂₄H₃₄NO₃	384.2523	–2.7
asperphenamate (4)^a^,^c	507.228	[M+H]⁺	C₃₂H₃₁N₂O₄	507.2279	+0.1
N-benzoyl-l-phenylalaninol (5)^a^,^c	256.133	[M+H]⁺	C₁₆H₁₈NO₂	256.1328	+1.6
aspochalasin I^c	416.240	[M+H]⁺	C₂₄H₃₄NO₅	416.2437	+1.3
aspochalasin K^c	434.289	[M+H]⁺	C₂₅H₄₀NO₅	434.2906	+1.2
flavichalasin N^c	434.253	[M+H]⁺	C₂₅H₄₀NO₅	434.2906	+1.2
emeriphenolicin F^c	734.459	[M+H]⁺	C₄₄H₆₄NO₈	734.4632	+0.8
erythroskyrin^c	456.235	[M+H]⁺	C₂₆H₃₄NO₆	456.2386	+1.2
Aspergillus sp. NCA264
diorcinol (7)^a^,^c	229.086	[M–H]⁻	C₁₄H₁₃O₃	229.0863	–3.1
sydonic acid (8)^a^,^c	265.144	[M–H]⁻	C₁₅H₂₁O₄	265.1442	–1.3
11-dehydrosydonic acid (9)^a^,^c	263.129	[M–H]⁻	C₁₅H₁₉O₄	263.1286	–1.1
(S)-10-hydroxysydonic acid^c	281.139	[M–H]⁻	C₁₅H₂₁O₅	281.1389	–1.9
Aspergillus sp. NCA257
Asterriquinol D dimethyl ether (10)^a^,^b	429.180	[M+H]⁺	C₂₆H₂₅N₂O₄	429.1800	–2.1

^a

Isolated compound.

^b

Manual annotation.

^c

GNPS annotation.

^d

Values from GNPS.

^e

Values from UPLC-HRESIMS-MS/MS analysis.