|
A mass spectrum is an intensity vs. m/z (mass-to-charge ratio) plot representing a chemical analysis. Hence, the mass spectrum of a sample is a pattern representing the distribution of components (atoms or molecules) by mass (more correctly: mass-to-charge ratio) in a sample. It is usually acquired using an instrument called a mass spectrometer. Not all mass spectra are the same. For example some mass spectrometers break the analyte molecules into fragments; others observe the intact molecular masses with little fragmentation. A mass spectrum can represent many different types of information based on the type of mass spectrometer and the specific experiment applied; however, all plots of intensity vs. mass-to-charge are referred to as mass spectra. It has been suggested that Charge-to-mass ratio be merged into this article or section. ...
Properties In chemistry and physics, an atom (Greek ἄτομος or átomos meaning indivisible) is the smallest particle still characterizing a chemical element. ...
In science, a molecule is a group of atoms in a definite arrangement held together by chemical bonds. ...
Unsolved problems in physics: What causes anything to have mass? The U.S. National Prototype Kilogram, which currently serves as the primary standard for measuring mass in the U.S. Mass is the property of a physical object that quantifies the amount of matter and energy it is equivalent to. ...
It has been suggested that Charge-to-mass ratio be merged into this article or section. ...
Mass spectrometry is a technique for separating ions by their mass-to-charge (m/z) ratios. ...
X-axis: m/z (mass-to-charge ratio) The x-axis of a mass spectrum represents a relationship between the mass of a given ion and the number of elementary charges that it carries. This is written as the IUPAC standard m/z to denote the quantity formed by dividing the mass of an ion by the unified atomic mass unit and by its charge number (positive absolute value). This has been referred to as a mass-to-charge ratio, although in some ways it does not fit this description. Cartesian means relating to the French mathematician and philosopher Descartes, who, among other things, worked to merge algebra and Euclidean geometry. ...
The International Union of Pure and Applied Chemistry (IUPAC) is an international non-governmental organization devoted to the advancement of chemistry. ...
The atomic mass unit (amu), unified atomic mass unit (u), or dalton (Da), is a small unit of mass used to express atomic masses and molecular masses. ...
It has been suggested that Charge-to-mass ratio be merged into this article or section. ...
For example, for the ion C7H72+, a peak is observed at 45.5 m / z.
See IUPAC definition (1997). Since a mass spectrum x-axis represents a relationship between the ion mass and the number of elemetary charges that a given ion carries it contains mass information that may be extracted by a knowledgable mass spectrometrist. Once this is done many mass spectrometrists use dalton (Da) as the unit of mass in order to avoid the clumsy "atomic mass units". The unified atomic mass unit (u), or dalton (Da), is a small unit of mass used to express atomic masses and molecular masses. ...
Alternative x-axis notations There are several alternatives to the standard m/z notation that appear in the literature; however, these are not currently accepted by standards organizations and most journals. m/e appears in older historical literature. A label more consistent with the IUPAC green book and ISO 31 conventions is m/Q or m/q where m is the symbol for mass and Q or q the symbol for charge with the units u/e or Da/e. This notation is not uncommon in the physics of mass spectrometry but is rarely used as the abscissa of a mass spectrum. It was also suggested to introduce a new unit thomson (Th) as a unit of m/z, where 1 Th = 1 u/e. According to this convention, mass spectra x axis could be labeled m/z (Th) and negative ions would have negative values. This notation is rare and not accepted by IUPAC or any other standards organisation. Title: Quantities, Units and Symbols in Physical Chemistry Content: the IUPAC green book establishes standards for nomenclature in chemistry. ...
International Standard ISO 31 (Quantities and units, International Organization for Standardization, 1992) is the most widely respected style guide for the use of units of measurement, and formulas involving them, in scientific and educational documents worldwide. ...
Cooks and Rockwood proposed the unit thomson (Th) for the phyiscal quantity mass-to-charge ratio: The thomson is defined by: 1 Th == 1 u/e == 1 Da/e. ...
The International Union of Pure and Applied Chemistry (IUPAC) is an international non-governmental organization devoted to the advancement of chemistry. ...
History of x-axis notation In 1897 the mass-to-charge ratio m / e of the electron was first measured by J.J. Thomson [1]. By doing this he showed that the electron, which was postulated before in order to explain electricity, was in fact a particle with a mass and a charge and that its mass-to-charge ratio was much smaller than the one for the hydrogen ion H+. In 1913 he measured the mass-to-charge ratio of ions with an instrument he called a parabola spectrograph [2]. Although this data was not represented as a modern mass spectrum, it was similar in meaning. Eventually there was a change to the more physically meaningful mass-to-charge ratio with some early notation as m/e giving way to the current IUPAC standard of m/z. e- redirects here. ...
Sir Joseph John Thomson Sir Joseph John Thomson (18 December 1856 – 30 August 1940), often known as J. J. Thomson, was an English physicist, the discoverer of the electron. ...
An electrostatic potential map of the nitrate ion (NO3−). Areas coloured red are lower in energy than areas colored yellow robert ford An ion is an atom or group of atoms which have lost or gained one or more electrons, making them negatively or positively charged. ...
Early in mass spectrometry research the resolution of mass spectrometers did not allow for accurate mass determination. Francis William Aston won the nobel prize in Chemistry in 1922 [3] "For his discovery, by means of his mass spectrograph, of isotopes, in a large number of non-radioactive elements, and for his enunciation of the whole-number rule." In which he stated that all atoms (including isotopes) follow a whole-number rule [4]. This implied that the masses of atoms were not on a scale but were quantized and could be expressed as integers. This may be an origin of the unitlessness of the m / z representation of mass-to-charge since both mass and charge were quantized and could be expressed as unitless whole numbers. (In fact multiply charged ions were rare, so for the most part the ratio was whole as well.) Today we know this to be not true; however for the most part the nomenclature convention has held while the whole-number rule has disappeared. There have been several suggestions (e.g. the unit thomson) to change the official mass spectrometry nomenclature m / z to be more internally consistent and compatible with the broader scientific unit system and other standards (ISO 31, IUPAC green book, IUPAP red book). Currently there is an effort to redefine the standard for x-axis notation. This effort has recently produced the IUPAC MS Terms Second Draft document. Francis William Aston (born Birmingham, September 1, 1877; died Cambridge, November 20, 1945) was a British physicist who won the 1922 Nobel Prize in Chemistry for the invention of the mass spectrometer. ...
International Standard ISO 31 (Quantities and units, International Organization for Standardization, 1992) is the most widely respected style guide for the use of units of measurement, and formulas involving them, in scientific and educational documents worldwide. ...
Y-axis: signal intensity The y-axis of a mass spectrum represents signal intensity of the ions. When using counting detectors the intensity is often measured in counts per second (cps). When using analog detection electronics the intensity is typically measured in volts. In FTICR and Orbitraps the frequency domain signal (the y-axis) is related to the power (~amplitude squared) of the signal sine wave (often reduced to an rms power); however, the axis is usually not labeled as such for many reasons. In most forms of mass spectrometry, the intensity of ion current measured by the spectrometer does not accurately represent relative abundance, but correlates loosely with it. Therefore it is common to label the y-axis with "arbitrary units". Cartesian means relating to the French mathematician and philosopher Descartes, who, among other things, worked to merge algebra and Euclidean geometry. ...
Fourier Transform Ion Cylotron Resonance, also known as Fourier Transform Mass Spectrometry, is a type of mass analyzer (or mass spectrometer) for determining the mass to charge ratio (m/z) of ions based on the cyclotron frequency of the ions in a magnetic field. ...
An orbitrap mass spectrometer is an ion trapping device that consists of an outer barrel-like electrode and a coaxial inner spindle-like electrode that form an electrostatic field with quadro-logarithmic potential distribution. ...
Frequency domain is a term used to describe the analysis of mathematical functions with respect to frequency. ...
In physics, power (symbol: P) is the rate at which work is performed or energy is transferred. ...
In trigonometry, an ideal sine wave is a waveform whose graph is identical to the generalized sine function y = Asin[ω(x − α)] + C, where A is the amplitude, ω is the angular frequency (2π/P where P is the wavelength), α is the phase shift, and C...
Y-axis and relative abundance Signal intensity may be dependent on many factors, especially the nature of the molecules being analyzed and how they ionize. The efficiency of ionization varies from molecule to molecule and from ion source to ion source. For example, in electrospray sources in positive ion mode a quaternary amine will ionize exceptionally well whereas a large hydrophobic alcohol will most likely not be seen no matter how concentrated. In an EI source these molecules will behave very differently. Additionally there may be factors that affect ion transmission disproportionally between ionization and detection.
On the detection side there are many factors that can also affect signal intensity in a non-proportional way. The size of the ion will affect the velocity of impact and with certain detectors the velocity is proportional to the signal output. In other detection systems, such as FTICR, the number of charges on the ion are more important to signal intensity. In Fourier transform ion cyclotron resonance and Orbitrap type mass spectrometers the signal intensity (Y-axis) is related to the amplitude of the free induction decay signal. This is fundamentally a power relationship (amplitude squared) but often computed as an [rms]. For decaying signals the rms is not equal to the average amplitude. Additionally the damping constant (decay rate of the signal in the fid) is not the same for all ions. In order to make conclusions about relative intensity a great deal of knowledge and care is required. Fourier Transform Ion Cylotron Resonance, also known as Fourier Transform Mass Spectrometry, is a type of mass analyzer (or mass spectrometer) for determining the mass to charge ratio (m/z) of ions based on the cyclotron frequency of the ions in a magnetic field. ...
Fourier Transform Ion Cyclotron Resonance, also known as Fourier Transform Mass Spectrometry, is a type of mass analyzer (or mass spectrometer) for determining the mass to charge ratio (m/z) of ions based on the cyclotron frequency of the ions in a magnetic field. ...
An orbitrap mass spectrometer is an ion trapping device that consists of an outer barrel-like electrode and a coaxial inner spindle-like electrode that form an electrostatic field with quadro-logarithmic potential distribution. ...
A free induction decay (FID) curve is generated as excited nuclei relax in an NMR machine. ...
A common way to get more quantitative information out of a mass spectrum is to create a standard curve to compare the sample to. This requires knowing what is to be quantitated ahead of time, having a standard available and designing the experiment specifically for this purpose. A more advanced variation on this the use of an internal standard which behaves very similarly to the analyte. This is often an isotopically labeled version of the analyte. There are forms of mass spectrometry, such as accelerator mass spectrometry that are designed from the bottom up to be quantitative. An internal standard in analytical chemistry is a chemical substance that is added in a constant amount to samples, the blank and calibration standards in a chemical analysis. ...
Mass spectrometry is a technique for separating ions by their mass-to-charge (m/z) ratios. ...
See also Mass spectrometry (also known as mass spectroscopy (deprecated)[1] or informally, mass-spec and MS) is an analytical technique used to measure the mass-to-charge ratio of ions. ...
Cooks and Rockwood proposed the unit thomson (Th) for the phyiscal quantity mass-to-charge ratio: The thomson is defined by: 1 Th == 1 u/e == 1 Da/e. ...
External links
References - Recommendations for nomenclature and symbolism for mass spectroscopy, International Journal of Mass Spectrometry and Ion Processes Volume 142, Issue 3 , 25 April 1995, Pages 209-240
- Cooks, R. G. and A. L. Rockwood (1991). "The 'Thomson'. A suggested unit for mass spectroscopists." Rapid Communications in Mass Spectrometry 5(2): 93.
|
Feeds |
Contact