| 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 | | |
| CED0000008 | Clofenotane CAS50-29-3 | C14H9Cl5 monoisotopic mass351.915 Average mass354.486 | | |
| CED0000011 | Trichloroethylene CAS1979-01-06 | C2HCl3 monoisotopic mass129.914 Average mass131.388 | | |
| CED0000031 | Pentachlorophenol CAS87-86-5 | C6HCl5O monoisotopic mass263.847 Average mass266.337 | | |
| CED0000038 | Endosulfan CAS115-29-7 | C9H6Cl6O3S monoisotopic mass403.817 Average mass406.925 | | |
| 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 | | |
| CED0000265 | Carbonate CAS3812-32-6 | CO3 monoisotopic mass59.985 Average mass60.009 | | |
| 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 | | |
| CED0000384 | Iron CAS7439-89-6 | Fe monoisotopic mass55.935 Average mass55.845 | | |
| CED0000401 | Phenol CAS108-95-2 | C6H6O monoisotopic mass94.042 Average mass94.111 | | |
| CED0000409 | Zinc CAS7440-66-6 | Zn monoisotopic mass63.929 Average mass65.409 | | |
| CED0000449 | Copper CAS7440-50-8 | Cu monoisotopic mass62.930 Average mass63.546 | | |
| CED0000510 | Nitric acid CAS7697-37-2 | HNO3 monoisotopic mass62.996 Average mass63.013 | | |
| CED0000531 | Silica CAS7631-86-9 | O2Si monoisotopic mass59.967 Average mass60.084 | | |
| CED0000534 | Chloride ion CAS22537-115-1 | Cl monoisotopic mass34.969 Average mass35.453 | | |
| CED0000566 | Magnesium CAS7439-95-4 | Mg monoisotopic mass23.985 Average mass24.305 | | |
| CED0000572 | Aluminum CAS7429-90-5 | Al monoisotopic mass26.982 Average mass26.982 | | |
| CED0000586 | Formaldehyde CAS50-00-0 | CH2O monoisotopic mass30.011 Average mass30.026 | | |
| CED0000618 | Ethene CAS74-85-1 | C2H4 monoisotopic mass28.031 Average mass28.053 | | |