Predicted GC-MS Spectrum - Spinacetin 3-(2''-apiosylgentiobioside) GC-MS (TMS_1_4) - 70eV, Positive (HMDB0031425)
Spectrum Details
| HMDB ID: | HMDB0031425 |
|---|---|
| Compound Name: | Spinacetin 3-(2''-apiosylgentiobioside) |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC1=CC(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)C(=O)C3=C(O)C(OC)=C(O)C=C3O2)=CC=C1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Spinacetin 3-(2''-apiosylgentiobioside) 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: | C34H42O22 |
| Molecular Weight (Monoisotopic Mass): | 802.2168 Da |
| Derivative Type: | TMS_1_4 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)C(=O)C3=C(O)C(OC)=C(O)C=C3O2)=CC=C1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 757 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available