Predicted GC-MS Spectrum - Hv-NCC-1 GC-MS (TMS_1_4) - 70eV, Positive (HMDB0039005)
Spectrum Details
| HMDB ID: | HMDB0039005 |
|---|---|
| Compound Name: | Hv-NCC-1 |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC(=O)C1C(=O)C2=C([NH]C(CC3=C(CCO[Si](C)(C)C)C(C)=C(C=O)[NH]3)=C2C)C1C1=C(CCC(=O)O)C(C)=C(CC2NC(=O)C(C(O)CO)=C2C)[NH]1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Hv-NCC-1 GC-MS (TMS_1_4) - 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: | C35H42N4O10 |
| Molecular Weight (Monoisotopic Mass): | 678.2901 Da |
| Derivative Type: | TMS_1_4 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC(=O)C1C(=O)C2=C([NH]C(CC3=C(CCO[Si](C)(C)C)C(C)=C(C=O)[NH]3)=C2C)C1C1=C(CCC(=O)O)C(C)=C(CC2NC(=O)C(C(O)CO)=C2C)[NH]1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 750 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available