Mass spectral studies of 1-(2-chloroethoxy)-2-[(2-chloroethyl)thio]ethane and related compounds using gas chromatography–mass spectrometry (GC-MS) and gas chromatography–triple quad mass spectrometry (GC-QQQ)

GRAPHICAL ABSTRACT

ABSTRACT

The electron impact and collision-ion-dissociation mass spectra of 1-(2-chloroethoxy)-2-[(2-chloroethyl) thio]ethane (1) and 10 related molecules were obtained using gas chromatography–mass spectrometry and gas chromatography–triple quad mass spectrometry. These mass spectral studies were performed to facilitate the development of a spectral database of mustard-related compounds for verification purposes of the Chemical Weapons Convention. The proposed fragmentation pathways of each individual molecule (1–11) are reported along with rationalizations for the most characteristic ions.

KEYWORDS:

• Sulfur mustard
• degradation products
• gas chromatography
• tandem mass spectrometry
• fragmentation

Funding

The authors would like to thank Dr. Eric Moore at the Defense Threat Reduction Agency-Joint Science and Technology Office (DTRA-JSTO) for funding this work.