Spectrum Details
MiMe ID:MMDBc0003124
Compound Name:TMC-2B
Derivative IUPAC Name:(2S)-2-({[(3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-7-methoxy-6,8-bis[(trimethylsilyl)oxy]-1,2,3,4-tetrahydroisoquinolin-3-yl][(trimethylsilyl)oxy]methylidene}amino)-4-methyl-5-[(trimethylsilyl)oxy]pentanoic acid
Derivative SMILES:COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CNC4=CC=CC=C34)CC2=C1O[Si](C)(C)C
Derivative InChIKey:InChIKey=QAALWWRNYOUQPZ-YAIKRUHTSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_4_1) - 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:C28H34N4O8
Molecular Weight (Monoisotopic Mass):554.2377 Da
Derivative Type:TMS_4_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file781 Bytes
mzML formatted file (MZML)Download file4.63 KB
References