Predicted GC-MS Spectrum - Bilirubin glucuronide GC-MS (TBDMS_1_8) - 70eV, Positive (HMDB0010332)
Spectrum Details
| HMDB ID: | HMDB0010332 |
|---|---|
| Compound Name: | Bilirubin glucuronide |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]3O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)N([Si](C)(C)C(C)(C)C)C1=O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Bilirubin glucuronide GC-MS (TBDMS_1_8) - 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: | C39H44N4O12 |
| Molecular Weight (Monoisotopic Mass): | 760.2956 Da |
| Derivative Type: | TBDMS_1_8 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]3O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)N([Si](C)(C)C(C)(C)C)C1=O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 754 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available