Class MassSpectrum

java.lang.Object

org.episteme.natural.chemistry.spectroscopy.MassSpectrum

public class MassSpectrum
extends Object

Mass Spectrometry models.

Since:

1.0

Author:

Silvere Martin-Michiellot, Gemini AI (Google DeepMind)

Method Summary

Modifier and Type	Method	Description
static Real	calculateMZ(Real mass, int charge)	Calculates Mass-to-Charge ratio (m/z).
static Real	cycloidalRadius(Real massKg, Real velocity, Real chargeC, Real magneticFieldTesla)	Radius of curvature in magnetic field. r = (m * v) / (q * B)

Methods inherited from class Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Method Details

calculateMZ

public static Real calculateMZ(Real mass,
 int charge)

Calculates Mass-to-Charge ratio (m/z).

Parameters:

mass - Mass in Daltons (u)

charge - Charge (integer, e.g. +1, +2)

Returns:

m/z ratio

cycloidalRadius

public static Real cycloidalRadius(Real massKg,
 Real velocity,
 Real chargeC,
 Real magneticFieldTesla)

Radius of curvature in magnetic field. r = (m * v) / (q * B)