Spectrum Details
MiMe ID:MMDBc0009713
Compound Name:Aspergillomarasmine A
Derivative IUPAC Name:2-[7,10-bis(tert-butyldimethylsilyl)-6,9-dicarboxy-2,2,3,3,11,11,12,12-octamethyl-4,7,10-triaza-3,11-disilatridecan-4-yl]butanedioic acid
Derivative SMILES:CC(C)(C)[Si](C)(C)N(CC(C(=O)O)N(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC(=O)O)C(=O)O
Derivative InChIKey:InChIKey=ZOFRMGBCLXJECI-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_4_50) - 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:C10H17N3O8
Molecular Weight (Monoisotopic Mass):307.1016 Da
Derivative Type:TBDMS_4_50
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)N(CC(C(=O)O)N(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC(=O)O)C(=O)O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file746 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available