Mass Accuracy Formula:
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Definition: This calculator determines the mass accuracy in parts per million (ppm) between measured and theoretical mass of water molecules.
Purpose: It helps chemists and mass spectrometry users evaluate the precision of their mass measurements.
The calculator uses the formula:
Where:
Explanation: The difference between measured and theoretical mass is divided by theoretical mass and scaled to ppm.
Details: Mass accuracy is crucial in analytical chemistry for identifying compounds, assessing instrument performance, and validating experimental results.
Tips: Enter the measured mass in atomic mass units (u) and theoretical mass (default 18.01528 u for water). All values must be > 0.
Q1: What is a good mass accuracy value?
A: For high-resolution mass spectrometry, values < 5 ppm are typically excellent, while < 10 ppm is generally acceptable.
Q2: Why is water used as a reference?
A: Water is commonly used for calibration due to its well-defined mass and ubiquity in mass spectrometry.
Q3: Can I use this for other molecules?
A: Yes, simply change the theoretical mass to match your target molecule.
Q4: What affects mass accuracy?
A: Instrument calibration, resolution, peak shape, and signal-to-noise ratio all impact mass accuracy.
Q5: What does negative ppm mean?
A: Negative values indicate your measured mass is lower than theoretical, while positive means it's higher.