Predicted GC-MS Spectrum - 4'-Hydroxyanigorootin GC-MS (TBDMS_2_3) - 70eV, Positive (HMDB0039972)
Spectrum Details
| HMDB ID: | HMDB0039972 |
|---|---|
| Compound Name: | 4'-Hydroxyanigorootin |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(C)(C)[Si](C)(C)OC12OC3=CC=C4C=CC(C5=CC=CC=C5)=C5C(=O)C6(O[Si](C)(C)C(C)(C)C)OC7=C(C8=C(C1=O)C(C1=CC=C(O)C=C1)=CC=C8C=C7)C2C6C3=C54 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - 4'-Hydroxyanigorootin GC-MS (TBDMS_2_3) - 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: | C38H22O7 |
| Molecular Weight (Monoisotopic Mass): | 590.1366 Da |
| Derivative Type: | TBDMS_2_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC12OC3=CC=C4C=CC(C5=CC=CC=C5)=C5C(=O)C6(O[Si](C)(C)C(C)(C)C)OC7=C(C8=C(C1=O)C(C1=CC=C(O)C=C1)=CC=C8C=C7)C2C6C3=C54)
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 | 4.66 KB |
References
Not Available