| CED0000004 | Vinyl chloride CAS75-01-4 | C2H3Cl monoisotopic mass61.992 Average mass62.498 | | |
| 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 | | |
| CED0000036 | Dibutyl phthalate CAS84-74-2 | C16H22O4 monoisotopic mass278.152 Average mass278.344 | | |
| CED0000047 | Methane CAS74-82-8 | CH4 monoisotopic mass16.031 Average mass16.043 | | |
| CED0000218 | Oxygen CAS7782-44-7 | O2 monoisotopic mass31.990 Average mass31.999 | | |
| CED0000294 | Ethanol CAS64-17-5 | C2H6O monoisotopic mass46.042 Average mass46.068 | | |
| 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 | | |
| 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 | | |
| 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 | | |
| CED0000561 | Ethyl ether CAS60-29-7 | C4H10O monoisotopic mass74.073 Average mass74.122 | | |
| CED0000572 | Aluminum CAS7429-90-5 | Al monoisotopic mass26.982 Average mass26.982 | | |
| CED0000586 | Formaldehyde CAS50-00-0 | CH2O monoisotopic mass30.011 Average mass30.026 | | |
| CED0000589 | Acetonitrile CAS75-05-8 | C2H3N monoisotopic mass41.027 Average mass41.052 | | |
| 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 | | |
| CED0000715 | Lithium CAS7439-93-2 | Li monoisotopic mass7.016 Average mass6.941 | | |
| CED0000770 | Zinc oxide CAS1314-13-2 | H2OZn monoisotopic mass81.940 Average mass83.400 | | |