Aflatoxin M1
6140
Reference
Aflatoxin M1 Structure
Systematic / IUPAC Name: (6aR,9aR)-9a-Hydroxy-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-H]chromene-1,11-dione
ID: Reference6140
Other Names:
Cyclopenta[c]furo[3',2':4,5]furo[2,3-H][1]benzopyran-1,11-dione,2,3,6a,9a-tetrahydro-9a-hydroxy-4-methoxy-, (6aR,9aR)-;
AFM1
Formula: C17H12O7
Class: Natural Toxins
Spectral Data
Aflatoxin M1 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 Elite |
| No. of Spectral Trees | 1 |
| No. of Spectra | 3664 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6, MS7, MS8 |
| Ionization Methods | NSI |
| Analyzers | IT; FT |
| Last Modification | 12/2/2016 12:18:44 PM |
Identificators
| InChI | InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3/t16-,17-/m1/s1 |
| InChI Key | MJBWDEQAUQTVKK-IAGOWNOFSA-N |
| Canonical SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)OC5C4(C=CO5)O |
| CAS | |
| Splash | |
| Other Names |
Cyclopenta[c]furo[3',2':4,5]furo[2,3-H][1]benzopyran-1,11-dione,2,3,6a,9a-tetrahydro-9a-hydroxy-4-methoxy-, (6aR,9aR)-; AFM1 |