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How to report mass spectroscopy and elemental analysis in the RSC style

  1. Sep 13, 2011 #1
    Hi,

    I am currently in the process of writing up my lab reports and wanted to know how to report mass spectroscopy and elemental analysis in the RSC style.

    In my report guidelines it suggests elemental analysis should be reported as follows:

    "Shown in the form: Found: C, 63.1; H, 5.4. C13H13NO4 requires C, 63.2; H, 5.3%."

    My elemental analysis resulted in: Carbon:53.1%, Hydrogen 3.9%, Nitrogen 7.7% and Oxygen 35.3% and so the empirical formula is C8H7NO4

    What I'm having trouble with is substituting my values for the values in the example, i.e.:

    Found C, x; H, y. C8H7NO4 requires C, a; H, b%.

    Any help on filing in the blanks would be greatly appreciated!

    Also I wanted to know how to report mass spectroscopy in the RSC style, the example shows "m/z 183 (M+, 41%), 168 (38), 154 (9), 138 (31)."

    But I want to know how to add assignments to the different factions. For example my mass spectrum has a peak at 181 (100) and another at 166 (50). I know that the difference is 15 so this corresponds to CH3, but how do I report this in the RSC style?

    (Please don't just paste an excerpt from a journal; I would much prefer an explanation)

    Thanks in advanced!
     
  2. jcsd
  3. Sep 18, 2011 #2
    For the elementary analysis, the x and y in your case are the found values, while the a and b refer to the theoretical percentage (based on the empirical formula).

    For the mass spec analysis, the % refers to the relative intensity (relative abundance). The RSC guideline tells you to use the % symbol once.

    Click here for the full guideline: http://www.rsc.org/images/GUIDELINES_tcm18-186308.pdf [Broken]

    I hope this helps.
     
    Last edited by a moderator: May 5, 2017
  4. Sep 18, 2011 #3
    Thank you so much for the reply!

    I can now write up the elemental analysis thanks to you!

    I'm still confused on how to report assignments to mass spectroscopy. For example my mass spectrum has a peak at 181 (100) and another at 166 (50). I know that the difference is 15 so this corresponds to CH3. If someone could show me how to report this by including the CH3 assignment to the peak difference I would be extremely grateful!

    Thanks again, and I look forward to hearing from you!
     
    Last edited: Sep 18, 2011
  5. Sep 18, 2011 #4
    I think you just state that the 166 peak is an M-15 peak in parenthesis.
     
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