Predicted GC-MS Spectrum - 1-(4-Biphenylyl)-4(S)-hydroxy-5(S)-2,5-bis((N-(methoxycarbonyl-)-L-tert-leucinyl)amino)-6-phenyl-2-azahexane GC-MS (TMS_1_4) - 70eV, Positive (HMDB0259463)
Spectrum Details
| HMDB ID: | HMDB0259463 |
|---|---|
| Compound Name: | 1-(4-Biphenylyl)-4(S)-hydroxy-5(S)-2,5-bis((N-(methoxycarbonyl-)-L-tert-leucinyl)amino)-6-phenyl-2-azahexane |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC(=O)NC(C(=O)NC(CC1=CC=CC=C1)C(O)CN(CC1=CC=C(C2=CC=CC=C2)C=C1)N(C(=O)C(NC(=O)OC)C(C)(C)C)[Si](C)(C)C)C(C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - 1-(4-Biphenylyl)-4(S)-hydroxy-5(S)-2,5-bis((N-(methoxycarbonyl-)-L-tert-leucinyl)amino)-6-phenyl-2-azahexane 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: | C39H53N5O7 |
| Molecular Weight (Monoisotopic Mass): | 703.3945 Da |
| Derivative Type: | TMS_1_4 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC(=O)NC(C(=O)NC(CC1=CC=CC=C1)C(O)CN(CC1=CC=C(C2=CC=CC=C2)C=C1)N(C(=O)C(NC(=O)OC)C(C)(C)C)[Si](C)(C)C)C(C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 751 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available