Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive (MMDBc0029524)
Spectrum Details
| MiMe ID: | MMDBc0029524 |
|---|---|
| Compound Name: | S-Adenosylmethioninamine |
| Derivative IUPAC Name: | {[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-[(tert-butyldimethylsilyl)oxy]-4-hydroxyoxolan-2-yl]methyl}(3-aminopropyl)methylsulfanium |
| Derivative SMILES: | C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C |
| Derivative InChIKey: | InChIKey=UJYQBLVJZORQEF-YLTOMNGISA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_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: | C14H23N6O3S |
| Molecular Weight (Monoisotopic Mass): | 355.1552 Da |
| Derivative Type: | TBDMS_1_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 749 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available