Basic principles and terms
- Mass Spectrometry (MS) is an analytical detection method that determines the structure of compounds from the ions to which it is fragmented.
- m/z means Mass to Charge ratio. It is calculated by dividing the mass of an ion by its charge. In most cases, ions have a charge of +1 or –1, which means the m/z value is numerically equal to the ion’s mass. However, for ions with higher charges, the m/z value is lower than the actual mass.
- MS Spectrometer is an analytical instrument used in Mass Spectrometry. It typically consists of several key components: Sample Inlet; Ion Source, where analyte molecules are ionized into charged particles; Mass Analyzer, which separates these ions according to their m/z values; and Detector, which measures the number and intensity of the ions. In chromatographic applications, this entire setup is often referred to as an MS detector, as it serves as the detection module connected to a chromatograph.
- MS Spectrum is the basic information coming out of the MS Detector - it is a set of data describing the relative intensities of ions with particular m/z values fragmented from the compound.
- Raw Data is a matrix of the spectra and the retention time.
- Total Ion Current (TIC) represents the total signal coming from the MS Detector, in fact summing all the individual ion intensity values from each spectra to single value.
- Base Peak Intensity (BPI) represents the signal showing the intensity of the highest intensity ion from each spectra.
- Extracted Ion Current (EIC) is the signal over time of one single ion of selected m/z value, as gained from the Raw Data.
- Raw Spectrum is a continuous spectrum (similar to the UV spectrum) of the compound - individual data points are connected by a curve.
- Stick Spectrum is a simplified representation of a mass spectrum, showing discrete peaks as vertical lines ("sticks") at their m/z positions with heights proportional to intensity. Unlike a raw spectrum, it does not display the full continuous profile of the signal.