Blue rayon unknown

Running the unknown spectrum through MOLGEN-MSas well as through the NIST classifiers resulted in the following information (95% precision) for formula calculation  

With this classifier information, three possible formulas were generated by MOL-GEN-MS C9H8O2, C8H4O3 and C7O4, of which the last was quite unlikely. 

An astute reader may have noted that the next-closest NIST match was at a higher molecular weight than the 148 used for the formula and structure candidates presented here, and also fell outside the measured KRI reuige. This added to the evidence for the tentative identification. The mutagenic subfraction, from which this unknown 

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The second example here was similar to the first in many ways (indeed, one oxygen is replaced with a NH group). However, there are some differences in this example that warranted a more detailed look. This unknown eluted at 25.4 minutes in the chromatogram from the same mutagenic subfraction of the blue rayon extract. The results of the NIST library search are summarized in Table 9.3. 

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