Predicted GC-MS Spectrum - Hydroxyhomodestruxin B GC-MS (TMS_1_2) - 70eV, Positive (HMDB0039897)
Spectrum Details
| HMDB ID: | HMDB0039897 |
|---|---|
| Compound Name: | Hydroxyhomodestruxin B |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CCC(C)C1C(=O)N(C)C(C)C(=O)NCCC(=O)OC(CC(C)(C)O)C(=O)N2CCCC2C(=O)N([Si](C)(C)C)C(C(C)CC)C(=O)N1C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Hydroxyhomodestruxin B GC-MS (TMS_1_2) - 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: | C31H53N5O8 |
| Molecular Weight (Monoisotopic Mass): | 623.3894 Da |
| Derivative Type: | TMS_1_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCC(C)C1C(=O)N(C)C(C)C(=O)NCCC(=O)OC(CC(C)(C)O)C(=O)N2CCCC2C(=O)N([Si](C)(C)C)C(C(C)CC)C(=O)N1C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 745 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available