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It has a molecular formula of Ca(Mn,Fe Si2O6.
Potassium aluminum sulfate, also known as potassium alum or potash alum, has a molecular formula of K2 SO4 ·Al2 SO4 3·24H2O or KAl SO4 2·12H2O.
The molecular formula of the FT root is the putative molecular formula of the precursor ion.
Each node is labeled with the molecular formula of the corresponding ion, and each edge is labeled with the molecular formula of the corresponding loss.
The molecular formula of marasmiellin A (1) was determined by HRESIMS as C15H22O3.
The molecular formula of 2 was established as C16H24O4 by the HRESI-MS and NMR data.
Open image in new window Fig. 17 Molecular formula of MAVA.
The molecular formula of marasmiellin B (2) was determined by HRESIMS as C15H20O3.
HREIMS analyses suggested that these two compounds had the same molecular formula of C14H18O3.
The best scoring fragmentation tree most likely explains the molecular formula of the measured parent ion.
The best matching formula is considered to be the correct molecular formula of the compound.
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