| Name | Formula | Alpha formula | Edge | Filename (right click to 'save target as') | Citation |
| Malonamide | NH2(CO)CH2(CO)NH2 | C3H6N2O2 | C1s | kr-0cckk.OS | |
| Malonamide | NH2(CO)CH2(CO)NH2 | C3H6N2O2 | N1s | kr-0nnkk.OS | |
| Malonamide | NH2(CO)CH2(CO)NH2 | C3H6N2O2 | O1s | kr-0ookk.OS | |
| Manganese | Mn (atomic) | Mn | Mn 2p,2s | aaa-mnll.os | SF |
| Manganese carbonyl | Mn2(CO)10 | C10Mn2O10 | C 1s | md-0cckk.os | RH89 |
| Manganese carbonyl | Mn2(CO)10 | C10Mn2O10 | Mn 2p | md-0mnl3.os | RH89 |
| Manganese carbonyl | Mn2(CO)10 | C10Mn2O10 | O 1s | md-0ookk.os | RH89 |
| Manganese carbonylbromide | Mn(CO)5Br | BrC5MnO5 | C 1s | mb-0cckk.os | RH89 |
| Manganese carbonylbromide | Mn(CO)5Br | BrC5MnO5 | Mn 2p | mb-0mnll.os | RH89 |
| Manganese carbonylbromide | Mn(CO)5Br | BrC5MnO5 | O 1s | mb-0ookk.os | RH89 |
| Manganese carbonylhydride | Mn(CO)5H | C5HMnO5 | C 1s | mc-0cckk.os | RH89 |
| Manganese carbonylhydride | Mn(CO)5H | C5HMnO5 | O 1s | mc-0ookk.os | RH89 |
| m-carborane | B9C2H11 | B10C2H12 | B 1s | bc-0bbkk.os | HR+96 |
| m-carborane | B9C2H11 | B10C2H12 | C 1s | bc-0cckk.os | HR+96 |
| MDI bis ethyl urethane | C19H22N2O4 | C19H22N2O4 | C 1s | je-0cckk.os | UHR95 |
| meta nitroaniline | m-NO2C6H4NH2 | C6H6N2O2 | C 1s | nk-0cckk.os | TUH96 |
| meta nitroaniline | m-NO2C6H4NH2 | C6H6N2O2 | N 1s | nk-0nnkk.os | TUH96 |
| meta nitroaniline | m-NO2C6H4NH2 | C6H6N2O2 | O 1s | nk-0ookk.os | TUH96 |
| Methane | CH4 | CH4 | C 1s | me-0cckk.os | HI87 |
| methanol | CH3OH | CH4O | C 1s | ml-0cckk.os | IH88 |
| methanol | CH3OH | CH4O | O 1s | ml-0ookk.os | IH88 |
| Methoxyalkilyd.tricobalt nonacarbonyl | Co3(CO)9COCH3 | C11Co3H3O10 | Co 2p | mf-0coll.os | HM&93 |
| Methoxyalkilyd.tricobalt nonacarbonyl | Co3(CO)9COCH3 | C11Co3H3O10 | O 1s | mf-0ookk.os | HM&93 |
| Methoxyalkyd.tricobalt nonacarbonyl | Co3(CO)9COCH3 | C11Co3H3O10 | C 1s | mf-0cckk.os | HM&93 |
| Methy fluoride | CH3F | CFH3 | C 1s | my-0cckk.os | H92a |
| Methy fluoride | CH3F | CFH3 | F 1s | my-0ffkk.os | H92a |
| methyl formate | HCO2CH3 | C2H4O2 | C 1s | mr-0cckk.os | IH87 |
| methyl formate | HCO2CH3 | C2H4O2 | O 1s | mr-0ookk.os | IH87 |
| Methyl isocyanide | CH3N=C | C2H3N | C 1s | mi-0cckk.os | html89 |
| Methyl isocyanide | CH3N=C | C2H3N | N 1s | mi-0nnkk.os | html89 |
| Methyl mercaptan | CH3SH | CH4S | C 1s | mm-0cckk.os | DTH90 |
| Methyl mercaptan | CH3SH | CH4S | S 2p,2s | mm-0ssll.os | DTH90 |
| Methyl Norbornene | CH3-C7H9 | C8H12 | C 1s | mn-0cckk.os | WH&90 |
| methylcyclopentadienylmanganese triCO | (CH3C5H4)Mn(CO)3 | C9H7MnO3 | C 1s | mg-0cckk.os | W92 |
| methylcyclopentadienylmanganese triCO | (CH3C5H4)Mn(CO)3 | C9H7MnO3 | Mn 2p | mg-0mnl3.os | W92 |
| methylcyclopentadienylmanganese triCO | (CH3C5H4)Mn(CO)3 | C9H7MnO3 | O 1s | mg-0ookk.os | W92 |
| Methylthiocyanide | CH3SCN | C2H3NS | C 1s | tc-0cckk.os | html89 |
| Methylthiocyanide | CH3SCN | C2H3NS | N 1s | tc-0nnkk.os | html89 |
| Methylthiocyanide | CH3SCN | C2H3NS | S 2p | tc-0ssl3.os | html89 |
| Methyl-thio-isocyanide | CH3SNC | C2H3NS | C 1s | ti-0cckk.os | html89 |
| Methyl-thio-isocyanide | CH3SNC | C2H3NS | N 1s | ti-0nnkk.os | html89 |
| monofluorobenzene | c-C6H5F | C6FH5 | C 1s | ob-0cckk.os | HF&87 |
| monofluorobenzene | c-C6H5F | C6FH5 | F 1s | ob-0ffkk.os | HF&87 |
| m-xylene | Me-Ph-Me | C8H10 | C 1s | vi-0cckk.os | EH+98 |