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exact mass calculation missing #2

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sneumann opened this issue Apr 6, 2010 · 0 comments
Open

exact mass calculation missing #2

sneumann opened this issue Apr 6, 2010 · 0 comments

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@sneumann
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sneumann commented Apr 6, 2010

mwOf: C49H56FeN4O6 is 852.8392886995263 Strange how many definitions of weight are floating around. This is KEGG compound C15670, and KEGG says it has Mass 852.3549, and if you ask www.chemcalc.org you will get Mass: 852.85384 Exact mass: 850.359598.
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