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)-4-formyl-4-hydroxy-3-{[(2S,3S,4S,5R,6S)-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-[(trimethylsilyl)oxy]oxan-2-yl]oxy}-5-methyloxolan-2-yl]oxy}-2,4,5-trihydroxycyclohexyl]guanidine
Derivative SMILES:CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]1O
Derivative InChIKey:InChIKey=LFPQMRZNCAORAO-JZEZQLHISA-N
Spectrum Type:Predicted GC-MS Spectrum - 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:C21H39N7O12
Molecular Weight (Monoisotopic Mass):581.2657 Da
Derivative Type:TMS_1_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file752 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available