Predicted GC-MS Spectrum - N-(4-{[(6s)-2-(Hydroxymethyl)-4-Oxo-4,6,7,8-Tetrahydro-1h-Cyclopenta[g]quinazolin-6-Yl](Prop-2-Yn-1-Yl)amino}benzoyl)-L-gamma-Glutamyl-D-Glutamic Acid GC-MS (TMS_2_6) - 70eV, Positive (HMDB0260437)
Spectrum Details
| HMDB ID: | HMDB0260437 |
|---|---|
| Compound Name: | N-(4-{[(6s)-2-(Hydroxymethyl)-4-Oxo-4,6,7,8-Tetrahydro-1h-Cyclopenta[g]quinazolin-6-Yl](Prop-2-Yn-1-Yl)amino}benzoyl)-L-gamma-Glutamyl-D-Glutamic Acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C#CCN(C1=CC=C(C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C=C1)C1CCC2=CC3=C(C=C21)C(=O)N([Si](C)(C)C)C(CO[Si](C)(C)C)=N3 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - N-(4-{[(6s)-2-(Hydroxymethyl)-4-Oxo-4,6,7,8-Tetrahydro-1h-Cyclopenta[g]quinazolin-6-Yl](Prop-2-Yn-1-Yl)amino}benzoyl)-L-gamma-Glutamyl-D-Glutamic Acid GC-MS (TMS_2_6) - 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: | C32H33N5O10 |
| Molecular Weight (Monoisotopic Mass): | 647.2227 Da |
| Derivative Type: | TMS_2_6 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C#CCN(C1=CC=C(C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C=C1)C1CCC2=CC3=C(C=C21)C(=O)N([Si](C)(C)C)C(CO[Si](C)(C)C)=N3)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 747 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available