Molecular networking has become a key method to visualize and annotate the chemical space in non-targeted mass spectrometry data. We present Feature-Based Molecular Networking (FBMN) as an analysis method in the Global Natural Products Social Molecular Networking (GNPS) infrastructure that builds on chromatographic feature detection and alignment tools. The FBMN method brings quantitative analyses, isomeric resolution, including from ion-mobility spectrometry, into molecular networks.

1Molecular networking has become a key method used to visualize and annotate the chemical space in 2 non-targeted mass spectrometry-based experiments. However, distinguishing isomeric compounds and

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Diosmetin, 5,7,3'-trihydroxy-4'-methoxyflavone shows chemopreventive, antimutagenic, and antiallergic effects. On the other hand, chrysoeriol, 5,7,4'-trihydroxy-3'-methoxyflavone induced nodABC-lacZ in Rhizobium meliloti. Both of them belong to hydroxymethoxy- flavones. One major difference between diosmetin and chrysoeriol is the substituted position of hydroxyl and methoxyl groups. In order to elucidate the relationships between their structures and activity, one of the first things to be done is the determination of their structures. However, most flavones occur widely in nature, and thus it is difficult to obtain in sufficient amounts from natural sources to identify their structures. Assignments of NMR data of several hydroxymethoxyflavones may help us to identify novel flavonoid compounds isolated from natural sources based on their NMR experiments. Therefore, we report here the complete assignments of 1H and 13C NMR data of 13 hydroxymethoxyflavones.