Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000425130 | Bronze | HMDB:HMDB00753-1078&3-Hexanone |
| CCMSLIB00000425888 | Bronze | HMDB:HMDB00753-1077&3-Hexanone |
| CCMSLIB00000426203 | Bronze | HMDB:HMDB00753-1079&3-Hexanone |
COMPOUND NPA012016
PROPERTIES
| NPAID | NPA012016 |
|---|---|
| CLUSTER ID | 4566 |
| NODE ID | 3340 |
| NAME | 3-Hexanone |
| FORMULA | C6H12O |
| MOLECULAR WEIGHT (Da) | 100.1610 |
| ACCURATE MASS (Da) | 100.0888 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Monascus |
| ORIGIN SPECIES | purpureus strain CCM 8152 |
| InChIKey | PFCHFHIRKBAQGU-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3 |
| SMILES | CCCC(=O)CC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Fischer, Guido; Schwalbe, Regina; Möller, Manfred; Ostrowski, Rene; Dott, Wolfgang Species-specific production of microbial volatile organic compounds (MVOC) by airborne fungi from a compost facility Chemosphere 1999 39 (5) 795-810. | ||
|---|---|---|---|
| DOI | 10.1016/s0045-6535(99)00015-6 | PMID | - |
