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. Author manuscript; available in PMC: 2019 Nov 15.
Published in final edited form as: J Breath Res. 2018 Nov 15;13(1):012001. doi: 10.1088/1752-7163/aae8c3

Figure 4.

Figure 4.

Theoretical shift of the A+1 peaks for four organic molecules compared to the calculated value for a molecule containing only carbon and hydrogen. In each case, the spacing between the monoisotopic mass (relative abundance 100%) and the 13CA+1 peak shown is 1.003 35 Da, and the relative abundance at ~8% indicates eight carbons. Fine isotope structure from 2H, 1.006 28 Da, from 15N, 0.997 03 Da, and from 33S, 0.999 387 Da, can be observed with sufficient resolving power.