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Mass Spectrometry: Overview

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Mass spectrometry is an analytical technique used to determine the molecular mass and molecular formula of a compound. The basic principle of mass spectrometry is to generate ions from the analyte molecule and measure these ion abundances against their molecular mass. One common type of ionization, known as electron ionization or EI, bombards the analyte molecules in the gas phase with high-energy electron beams. The electron beams displace an electron from the molecule and leave behind a...

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MALDI-TOF Mass Spectrometry

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Mass spectrometry is a powerful characterization technique that can identify and separate a wide variety of compounds ranging from chemical to biological entities, based on their mass-to-charge ratio (m/z). The instruments that allow this detection, known as mass spectrometers, have three components: an ion source, a mass analyzer, and a detector. These spectrometers differ based on the nature of their ion source and analyzers.Matrix-assisted laser desorption ionization (MALDI) is a commonly...

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Related Experiment Video

Updated: Jul 9, 2026

Standardized Method for Measuring Collection Efficiency from Wipe-sampling of Trace Explosives

Standardized Method for Measuring Collection Efficiency from Wipe-sampling of Trace Explosives

Published on: April 10, 2017

NIST Mass Spectrometry Data Center standard reference libraries and software tools: Application to seized drug

William E Wallace¹, Arun S Moorthy¹

¹Mass Spectrometry Data Center, Biomolecular Measurement Division, National Institute of Standards and Technology, Gaithersburg, Maryland, USA.

Journal of Forensic Sciences

|May 19, 2023

Summary

The National Institute of Standards and Technology (NIST) offers mass spectral libraries and software to help analysts identify novel fentanyl-related substances (FRS) when certified samples are unavailable. These tools aid in accurate identification using techniques like gas chromatography-mass spectrometry.

Keywords:

DART-MS GC-MS LC-MS/MS fentanyl novel psychoactive substances opioids seized drug analysis

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Last Updated: Jul 9, 2026

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Area of Science:

Forensic Chemistry
Analytical Chemistry
Mass Spectrometry

Background:

Seized drug analysis often involves identifying novel or unknown substances.
Fentanyl-related substances (FRS) pose a significant challenge due to their prevalence and structural diversity.
Lack of certified reference materials for novel FRS hinders accurate identification.

Purpose of the Study:

To describe the National Institute of Standards and Technology's Mass Spectrometry Data Center (NIST MSDC) standard reference libraries and software.
To highlight the utility of these tools for seized drug analysts, particularly for identifying fentanyl-related substances (FRS).
To provide resources for analysts encountering novel substances without certified samples.

Main Methods:

Utilizing NIST's three standard reference mass spectral libraries.
Employing six NIST software packages for mass spectral analysis, library searching, and data interpretation.
Applying gas chromatography-mass spectrometry (GC-MS) and direct analysis in real-time (DART) mass spectrometry for fentanyl identification examples.

Main Results:

NIST provides comprehensive mass spectral libraries and software tools.
These resources facilitate the identification of fentanyl-related substances (FRS).
Demonstrated examples of FRS identification using GC-MS and DART-MS.

Conclusions:

NIST MSDC tools are valuable for seized drug analysts.
The libraries and software support the identification of novel and emerging FRS.
Online tutorials are available to assist users.