Thermo fisher Xcaliber

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


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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