Predicted GC-MS Spectrum - Agrocin 84 GC-MS (TMS_1_2) - 70eV, Positive (HMDB0030532)
Spectrum Details
| HMDB ID: | HMDB0030532 |
|---|---|
| Compound Name: | Agrocin 84 |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(C)C(O)C(O[Si](C)(C)C)C(=O)NP(=O)(O)OCC1CC(O)C(N2C=NC3=C(NP(=O)(O)OC4OC(C(O)CO)C(O)C4O)N=CN=C32)O1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Agrocin 84 GC-MS (TMS_1_2) - 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: | C22H36N6O16P2 |
| Molecular Weight (Monoisotopic Mass): | 702.1663 Da |
| Derivative Type: | TMS_1_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)C(O)C(O[Si](C)(C)C)C(=O)NP(=O)(O)OCC1CC(O)C(N2C=NC3=C(NP(=O)(O)OC4OC(C(O)CO)C(O)C4O)N=CN=C32)O1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 746 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available