Predicted GC-MS Spectrum - Bromocriptine GC-MS (TMS_1_3) - 70eV, Positive (HMDB0015331)
Spectrum Details
| HMDB ID: | HMDB0015331 |
|---|---|
| Compound Name: | Bromocriptine |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4C5=CC=CC6=C5C(=C(Br)N6[Si](C)(C)C)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Bromocriptine GC-MS (TMS_1_3) - 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: | C32H40BrN5O5 |
| Molecular Weight (Monoisotopic Mass): | 653.2213 Da |
| Derivative Type: | TMS_1_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4C5=CC=CC6=C5C(=C(Br)N6[Si](C)(C)C)C[C@H]4N(C)C3)(C(C)C)C(=O)N12)
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