Predicted GC-MS Spectrum - GC-MS (TMS_1_10) - 70eV, Positive (MMDBc0024551)
Spectrum Details
| MiMe ID: | MMDBc0024551 |
|---|---|
| Compound Name: | Streptomycin |
| Derivative IUPAC Name: | N-[(1S,2R,3R,4S,5R,6R)-3-carbamimidamido-6-{[(2R,3R,4R,5S)-3-{[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[methyl(trimethylsilyl)amino]oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy}-2,4,5-trihydroxycyclohexyl]guanidine |
| Derivative SMILES: | C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]2O)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2N(C)[Si](C)(C)C)[C@@]1(O)C=O |
| Derivative InChIKey: | InChIKey=ZIVDMJROKMABQJ-YHDZWPCQSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_10) - 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: | C21H39N7O12 |
| Molecular Weight (Monoisotopic Mass): | 581.2657 Da |
| Derivative Type: | TMS_1_10 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]2O)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2N(C)[Si](C)(C)C)[C@@]1(O)C=O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 748 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available