Fig. S7.

Simulated thermal metamorphism of Murchison and CHOMg-based shock stage differentiation. (A) Laboratory experiment, in which a Murchison meteorite sample was heated to selected temperatures for variable durations (25 °C, 250 °C, 600 °C, and 1,000 °C). Number and distribution of organomagnesium compounds enabled reconstruction of thermal exposure by means of HCA. The simulation of thermal metamorphism grades by increasing the temperature narrows the oxygen number in organomagnesium compounds to the MgO₄R⁻ class (R = hydrocarbon C_xH_y and x, y ∈ $\mathrm{\mathbb{N}}$), which dominates the entire CHOMg chemical space. This effect of convergence with increasing temperature is depicted in modified van Krevelen diagrams in B, resulting from negative ionization ESI-FT-ICR-MS data. The bubble size represents the relative intensity of the mass peaks. HCA organizes the samples, as a graphical output, into a dendrogram (cluster tree) whose branches are the desired clusters. Based on different similarity rules the clusters are defined. Similar samples are within a cluster. The samples clustered according their elevated temperatures (25 °C, 250 °C, 600 °C, and 1,000 °C). Sampling the effect of time-dependency on the variation of the CHOMg chemical space, three different time points were sampled for temperature 250 °C and clustered together. (C) Detailed differentiation of metamorphic states is illustrated, deduced from CHOMg-based HCA. Four ureilite meteorites were studied (NWA 5928, NWA 6069, Dhofor 1303, and NWA 2634), which had experienced high thermal and shock conditions (62). (D) (Top) CHOMg chemical spaces of four ureilite methanolic extracts (overlapped CHOMg compounds) are shown on top. (Bottom) CHOMg compositions, which increased in abundance in the higher-shocked ureilite meteorites Dhofor 1303 and NWA 2634.