Inositol
14091
Reference
Inositol Structure
Systematic / IUPAC Name: Cyclohexane-1,2,3,4,5,6-hexol
ID: Reference14091
Other Names:
1,2,3,4,5,6-Cyclohexanehexol;
An Inositol;
chiro-Inositol;
AA-2740
Formula: C6H12O6
Class: Endogenous Metabolites
Spectral Data
Inositol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap ID-X with ETD_Cal Gateshead |
| No. of Spectral Trees | 1 |
| No. of Spectra | 370 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/21/2026 1:27:23 PM |
Identificators
| InChI | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H |
| InChI Key | CDAISMWEOUEBRE-UHFFFAOYSA-N |
| Canonical SMILES | C1(C(C(C(C(C1O)O)O)O)O)O |
| CAS | |
| Splash | |
| Other Names |
1,2,3,4,5,6-Cyclohexanehexol; An Inositol; chiro-Inositol; AA-2740 |