| CED0000004 | Vinyl chloride CAS75-01-4 | C2H3Cl monoisotopic mass61.992 Average mass62.498 | | |
| CED0000005 | Benzene CAS71-43-2 | C6H6 monoisotopic mass78.047 Average mass78.112 | | |
| CED0000021 | gamma-Hexachlorocyclohexane CAS58-89-9 | C6H6Cl6 monoisotopic mass287.860 Average mass290.830 | | |
| CED0000025 | Acrolein CAS107-02-8 | C3H4O monoisotopic mass56.026 Average mass56.063 | | |
| CED0000031 | Pentachlorophenol CAS87-86-5 | C6HCl5O monoisotopic mass263.847 Average mass266.337 | | |
| CED0000033 | Cobalt CAS7440-48-4 | Co monoisotopic mass58.933 Average mass58.933 | | |
| CED0000038 | Endosulfan CAS115-29-7 | C9H6Cl6O3S monoisotopic mass403.817 Average mass406.925 | | |
| CED0000041 | m-Xylene CAS108-38-3 | C8H10 monoisotopic mass106.078 Average mass106.165 | | |
| CED0000047 | Methane CAS74-82-8 | CH4 monoisotopic mass16.031 Average mass16.043 | | |
| CED0000050 | Toluene CAS108-88-3 | C7H8 monoisotopic mass92.063 Average mass92.138 | | |
| CED0000218 | Oxygen CAS7782-44-7 | O2 monoisotopic mass31.990 Average mass31.999 | | |
| CED0000267 | NITROGEN CAS7727-37-9 | N2 monoisotopic mass28.006 Average mass28.013 | | |
| CED0000293 | Gold CAS7440-57-5 | Au monoisotopic mass196.967 Average mass196.967 | | |
| CED0000294 | Ethanol CAS64-17-5 | C2H6O monoisotopic mass46.042 Average mass46.068 | | |
| CED0000306 | ACETAL CAS105-57-7 | C6H14O2 monoisotopic mass118.099 Average mass118.174 | | |
| CED0000309 | Hydrogen CAS1333-74-0 | H2 monoisotopic mass2.016 Average mass2.016 | | |
| CED0000373 | Potassium CAS7440-09-7 | K monoisotopic mass38.964 Average mass39.098 | | |
| CED0000384 | Iron CAS7439-89-6 | Fe monoisotopic mass55.935 Average mass55.845 | | |
| CED0000394 | Methanol CAS67-56-1 | CH4O monoisotopic mass32.026 Average mass32.042 | | |
| CED0000401 | Phenol CAS108-95-2 | C6H6O monoisotopic mass94.042 Average mass94.111 | | |
| CED0000409 | Zinc CAS7440-66-6 | Zn monoisotopic mass63.929 Average mass65.409 | | |
| CED0000415 | Glycerol CAS56-81-5 | C3H8O3 monoisotopic mass92.047 Average mass92.094 | | |
| CED0000432 | Sodium chloride CAS7647-14-5 | ClNa monoisotopic mass57.959 Average mass58.443 | | |
| CED0000437 | Urea CAS57-13-6 | CH4N2O monoisotopic mass60.032 Average mass60.055 | | |
| CED0000449 | Copper CAS7440-50-8 | Cu monoisotopic mass62.930 Average mass63.546 | | |