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Thermo fisher Xcaliber

1. Use the Isotope Simulation calculator in Xcalibur Qual browser to determine the

following:

a. What is the uncharged monoisotopic mass of DPPC (HMDB0000564)?

b. What is the relative abundance of the second and third isotopologues of

uncharged DPPC?

c. What are the possible di-isotopic masses (A+1) of uncharged DPPC

(mono-isotopologue plus one additional neutron)? Hint: fine isotopic structure.

d. What is the exact monoisotopic of m/z of DPPC in positive ion mode ESI?

e. What is the exact monoisotopic mass of m/z of DPPC in negative ion mode ESI?

Hint: it is not simple de-protonation.

2. In the [login to view URL] file using Xcalibur Qual browser, determine for the positive

monoisotopic ion of DPPC:

a. Retention time

b. Chromatographic FWHM

c. Chromatographic peak area

Beceriler: R Programlama Dili, Kimya Mühendisliği

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