Predicted GC-MS Spectrum - Pentagastrin GC-MS (TBDMS_1_8) - 70eV, Positive (HMDB0014329)
Spectrum Details
| HMDB ID: | HMDB0014329 |
|---|---|
| Compound Name: | Pentagastrin |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CSCC[C@H](NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)CCNC(=O)OCC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Pentagastrin 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: | C37H49N7O9S |
| Molecular Weight (Monoisotopic Mass): | 767.3312 Da |
| Derivative Type: | TBDMS_1_8 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CSCC[C@H](NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)CCNC(=O)OCC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)
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