Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 70eV, Positive (T3D3768)
Spectrum Details
| T3DB ID: | T3D3768 |
|---|---|
| Compound Name: | Luteoskyrin |
| Derivative IUPAC Name: | 5,8,10,20,23,28-hexahydroxy-6,21-dimethyl-14,25-bis[(trimethylsilyl)oxy]octacyclo[14.11.1.0²,¹¹.0²,¹⁵.0⁴,⁹.0¹³,¹⁷.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-4,6,8,10,19,21,23,25-octaene-3,12,18,27-tetrone |
| Derivative SMILES: | CC1=CC(O)=C2C(O[Si](C)(C)C)=C3C(=O)C4C(O)C5C6C(O[Si](C)(C)C)C(C(=O)C7=C(O)C8=C(O)C=C(C)C(O)=C8C(=O)C746)C35C(=O)C2=C1O |
| Derivative InChIKey: | InChIKey=NQFAOYPXMRVVCK-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 70eV, Positive |
| Splash Key: | Not Available |
| Notes: | This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification. |
Spectrum View
Experimental Conditions
| Ionization Mode: | Positive |
|---|---|
| Ionization Energy: | 70 eV |
| Chromatography Type: | Gas Chromatography Column (GC) |
| Instrument Type: | Single quadrupole, spectrum predicted by CFM-ID(EI) |
| Mass Resolution: | 0.0001 Da |
| Molecular Formula: | C30H22O12 |
| Molecular Weight (Monoisotopic Mass): | 574.1111 Da |
| Derivative Type: | TMS_2_12 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=CC(O)=C2C(O[Si](C)(C)C)=C3C(=O)C4C(O)C5C6C(O[Si](C)(C)C)C(C(=O)C7=C(O)C8=C(O)C=C(C)C(O)=C8C(=O)C746)C35C(=O)C2=C1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 744 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available