Lecture 1 - Basic concepts, units Flashcards
What is mass spectrometry?
Measurement of the abundance of ions at m/z ratios
What is required to initiate MS?
A loss or gain of protons (H+)
E.g
499 -> 500 (gain H+)
499 -> 498 (loss H+)
What are the values of m and z? (m/z)
m = mass of the ion z = charge of the ion m/z = mass to charge ratio
What is relative abundance?
Number of ions normalised to the highest abundant ion.
What is an atomic mass unit?
A unit of mass equal to 1/12 the mass of the most abundant isotope of carbon, carbon 12, which is assigned a mass of 12, also called a Dalton (d)
What is a unit of charge measured in?
How is it applied in m/z?
e (charge of electron) or thompson (th)
m/z = dalton / e m/z = dalton / th
What is the nitrogen rule?
molecular weight will be even if number of N is even or equal to 0
What is are the most abundant BIOLOGICAL molecules?
Carbon (C) Hydrogen (H) Oxygen (O) Nitrogen (N) Sulphur (S) Phosphorus (P)
What is the relative abundance of Carbon-13?
1.11%
What is the relative abundance of Hydrogen-2?
0.016%
What is the relative abundance of Nitrogen-14?
0.38%
What is the relative abundance of Oxygen-17 and Oxygen-18?
Oxygen-17 : 0.04%
Oxygen-18 : 0.20%
What is the relative abundance of Sulfur-33 and Sulfur 34?
Sulfur-33 :: 0.78%
Sulfur-34 : 4.40%
What is the relative abundance of Chlorine-37?
32.5%
What is the relative abundance of Bromine-81?
98.0%
what is the effect of 2 Chlorine atoms?
A combination of Cl-37 and Cl-35
What happens when the monoisotopic mass is used?
The average mass is usually used
What is monoisotopic mass?
When a compound consist only the most abundant isotope
Under what conditions can the monoisotopic mass be defined as most accurate measurement?
When the monoisotopic mass is clearly resolved
Under a mass peak graph, what does the “Average mass” correspond to?
The centroid of the unresolved peak cluster (The weighted average of all the isotope peaks)
This is equal to average or chemical mass of a compound
Under what condition is the average mass used for MS?
If the peaks show poor resolution (cannot distinguish the monoisotopic compound)
What is mass resolution?
How easily two adjacent peaks are distinguished
What is the equation for mass resolution?
Mass resolution = m1 / (m2 - m1)
or.
Mass resolution = M / dM
M = height of peak dM = Width of peak from the mid-height
What does the accuracy of mass measurement depend on?
Resolution
Higher resolution = higher accuracy
Define mass accuracy
How accurate the mass is measured
Define sensitivity
How small an amount can be analyzed
What does a unit of ‘e’ equal in coulombs (C)?
1 e = 1.602x10^-19 C
What is ESI?
Electrospray ionisation
What is the mass of a proton (H)?
1.007276 u
Calculate the m/z of tyrpsinogen
mw = 23983
z = 15
23983 / 15 = 1598.9
What is the equation to calculate the ‘charge state’?
m2 - H
_____ = Charge state (n)
m1 - m2
m1 = m/z of peak 1 m2 = m/z of peak 2 H = mass of hydrogen