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

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Discussion Overview

The discussion focuses on how to report mass spectroscopy and elemental analysis in accordance with the Royal Society of Chemistry (RSC) style guidelines. Participants seek clarification on formatting and content for lab reports, specifically regarding elemental analysis values and mass spectroscopy peak assignments.

Discussion Character

  • Homework-related
  • Technical explanation

Main Points Raised

  • One participant shares their elemental analysis results and seeks guidance on how to format these results according to RSC style, specifically how to substitute their values into a provided example.
  • Another participant clarifies that the found values correspond to the participant's results, while the theoretical values relate to the empirical formula.
  • The original poster expresses confusion about how to report assignments for mass spectroscopy peaks, particularly how to indicate the relationship between peaks and molecular fragments.
  • A later reply suggests that the peak at 166 can be reported as an M-15 peak in parentheses, indicating a potential fragment assignment.

Areas of Agreement / Disagreement

Participants generally agree on the structure for reporting elemental analysis but have differing views on how to report mass spectroscopy assignments, indicating some uncertainty remains regarding the best practices for this aspect.

Contextual Notes

Participants reference specific formatting requirements from the RSC guidelines but do not provide a complete consensus on the reporting of mass spectroscopy assignments, leaving some ambiguity in the discussion.

Who May Find This Useful

Students and researchers preparing lab reports in chemistry, particularly those needing guidance on RSC style for mass spectroscopy and elemental analysis.

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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!
 
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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

I hope this helps.
 
Last edited by a moderator:
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:
I think you just state that the 166 peak is an M-15 peak in parenthesis.
 

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