Spectrum Details
MiMe ID:MMDBc0019667
Compound Name:Malformin A1
Derivative IUPAC Name:(1S,4S,7R,10S,13S)-4-[(2S)-butan-2-yl]-7-(2-methylpropyl)-10-(propan-2-yl)-6,9,12,18-tetrakis[(trimethylsilyl)oxy]-15,16-dithia-2,5,8,11,19-pentaazabicyclo[11.4.2]nonadeca-2,5,8,11,18-pentaen-3-ol
Derivative SMILES:CC[C@H](C)[C@@H]1N=C(O[Si](C)(C)C)[C@@H](CC(C)C)N=C(O[Si](C)(C)C)[C@H](C(C)C)N=C(O[Si](C)(C)C)[C@H]2CSSC[C@@H](N=C1O)C(O[Si](C)(C)C)=N2
Derivative InChIKey:InChIKey=GZBLUYOQQXNTQN-CGJNDEMASA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_4_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:C23H39N5O5S2
Molecular Weight (Monoisotopic Mass):529.2393 Da
Derivative Type:TMS_4_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file768 Bytes
mzML formatted file (MZML)Download file4.63 KB
References