Predicted GC-MS Spectrum - GC-MS (TBDMS_2_3) - 70eV, Positive (MMDBc0029524)
Spectrum Details
| MiMe ID: | MMDBc0029524 |
|---|---|
| Compound Name: | S-Adenosylmethioninamine |
| Derivative IUPAC Name: | (3-aminopropyl)({[(2S,3R,4R,5R)-5-{6-[(tert-butyldimethylsilyl)amino]-9H-purin-9-yl}-4-[(tert-butyldimethylsilyl)oxy]-3-hydroxyoxolan-2-yl]methyl})methylsulfanium |
| Derivative SMILES: | C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O |
| Derivative InChIKey: | InChIKey=GYACOVIXGWSZAF-DNOOQXKMSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_2_3) - 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_2_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[S+](CCCN)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 752 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available