| 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 | | |
| CED0000022 | Tetrachloroethylene CAS127-18-4 | C2Cl4 monoisotopic mass163.875 Average mass165.833 | | |
| CED0000031 | Pentachlorophenol CAS87-86-5 | C6HCl5O monoisotopic mass263.847 Average mass266.337 | | |
| CED0000047 | Methane CAS74-82-8 | CH4 monoisotopic mass16.031 Average mass16.043 | | |
| CED0000218 | Oxygen CAS7782-44-7 | O2 monoisotopic mass31.990 Average mass31.999 | | |
| CED0000267 | NITROGEN CAS7727-37-9 | N2 monoisotopic mass28.006 Average mass28.013 | | |
| CED0000294 | Ethanol CAS64-17-5 | C2H6O monoisotopic mass46.042 Average mass46.068 | | |
| CED0000309 | Hydrogen CAS1333-74-0 | H2 monoisotopic mass2.016 Average mass2.016 | | |
| 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 | | |
| 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 | | |
| CED0000550 | Carbon dioxide CAS124-38-9 | CO2 monoisotopic mass43.990 Average mass44.010 | | |
| CED0000561 | Ethyl ether CAS60-29-7 | C4H10O monoisotopic mass74.073 Average mass74.122 | | |
| CED0000566 | Magnesium CAS7439-95-4 | Mg monoisotopic mass23.985 Average mass24.305 | | |
| CED0000572 | Aluminum CAS7429-90-5 | Al monoisotopic mass26.982 Average mass26.982 | | |
| CED0000585 | Acetone CAS67-64-1 | C3H6O monoisotopic mass58.042 Average mass58.079 | | |
| CED0000586 | Formaldehyde CAS50-00-0 | CH2O monoisotopic mass30.011 Average mass30.026 | | |