| CED0000004 | Vinyl chloride CAS75-01-4 | C2H3Cl monoisotopic mass61.992 Average mass62.498 | | |
| 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 | | |
| CED0000263 | D-Glucose CAS50-99-7 | C6H12O6 monoisotopic mass180.063 Average mass180.156 | | |
| 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 | | |
| CED0000384 | Iron CAS7439-89-6 | Fe monoisotopic mass55.935 Average mass55.845 | | |
| CED0000394 | Methanol CAS67-56-1 | CH4O monoisotopic mass32.026 Average mass32.042 | | |
| CED0000409 | Zinc CAS7440-66-6 | Zn monoisotopic mass63.929 Average mass65.409 | | |
| CED0000415 | Glycerol CAS56-81-5 | C3H8O3 monoisotopic mass92.047 Average mass92.094 | | |
| CED0000449 | Copper CAS7440-50-8 | Cu monoisotopic mass62.930 Average mass63.546 | | |
| CED0000486 | L-Threonine CAS72-19-5 | C4H9NO3 monoisotopic mass119.058 Average mass119.119 | | |
| 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 | | |
| 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 | | |
| CED0000618 | Ethene CAS74-85-1 | C2H4 monoisotopic mass28.031 Average mass28.053 | | |
| CED0000639 | Silicon CAS7440-21-3 | H4Si monoisotopic mass32.008 Average mass32.117 | | |
| CED0000670 | Ammonia CAS7664-41-7 | H3N monoisotopic mass17.027 Average mass17.031 | | |