Metabolite/decomposition products formed in HLM incubation

From Nassar et al. (2010a).

(Molecular Formula)MW (amu)RT (min)N-ruleaRDBEbH-Dc
C-1 (C3H8O3S)124.2126.25.5Even or noNo0011
C-3 (C4H10N2O4S2)214.3216.39.3Even or noEven1111
C-4ad (C2H5ClO80.5ND11.5Even or noND0ND1ND
C-4 (C4H10N2O4S2)214.3216.311.5Even or noEven1111
C-5 (C4H10N2O4S2)214.3216.319.5Even or noEven1100
C-7 (C6H14ClN3O6S2)323.8325.836.0OddOdd1122
C-8 (VNP4090CE, 90CE)250.7252.738.1Even or noEven0011
Parent drug (laromustine)307.8309.843.0OddOdd1111
  • amu, atomic mass units; 13C2, stable isotope (13C-labeled laromustine); MW, molecular weight; ND, no data available from LC-MS.

  • a If a compound has an odd mass it definitely has a N atom in its structure, and contains an odd number of N atoms (1, 3, 5, etc.). If a compound has an even mass, it has either no N or an even number of N atoms in its structure (0, 2, 4, etc.).

  • b Ring double bond equivalents.

  • c Number of labile protons on the molecule

  • d [14C]2-Chloroethanol peak (C-4a) overlaps with the component C-4; 2-chloroethanol peak was detected by gas chromatography mass spectrometry.