Spectrum Details
MiMe ID:MMDBc0009713
Compound Name:Aspergillomarasmine A
Derivative IUPAC Name:2-[5,8-dicarboxy-2,2,10,10-tetramethyl-6,9-bis(trimethylsilyl)-3,6,9-triaza-2,10-disilaundecan-3-yl]butanedioic acid
Derivative SMILES:C[Si](C)(C)N(CC(C(=O)O)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CC(=O)O)C(=O)O
Derivative InChIKey:InChIKey=QUJYZHPQMZNYBC-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_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:TMS_4_50
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)N(CC(C(=O)O)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CC(=O)O)C(=O)O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file749 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available