Predicted GC-MS Spectrum - Nummularine A GC-MS (TBDMS_2_6) - 70eV, Positive (HMDB0029336)
Spectrum Details
| HMDB ID: | HMDB0029336 |
|---|---|
| Compound Name: | Nummularine A |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CCC(C)C1/N=C(\O)C2C(CCN2C(=O)C(CC(C)C)/N=C(\O)C(CC2=CC=CC=C2)N(C)[Si](C)(C)C(C)(C)C)OC2=CC=C(OC)C(=C2)/C=C/N=C\1O[Si](C)(C)C(C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Nummularine A GC-MS (TBDMS_2_6) - 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: | C36H49N5O6 |
| Molecular Weight (Monoisotopic Mass): | 647.3683 Da |
| Derivative Type: | TBDMS_2_6 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCC(C)C1/N=C(\O)C2C(CCN2C(=O)C(CC(C)C)/N=C(\O)C(CC2=CC=CC=C2)N(C)[Si](C)(C)C(C)(C)C)OC2=CC=C(OC)C(=C2)/C=C/N=C\1O[Si](C)(C)C(C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 748 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available