Spectrum Details
MiMe ID:MMDBc0025336
Compound Name:Microcolin H
Derivative IUPAC Name:(2S)-N-[(1S,2R)-2-(acetyloxy)-1-{methyl[(2S)-3-methyl-1-[(2S,4S)-2-[(2S)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-1-carbonyl]-4-[(trimethylsilyl)oxy]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamoyl}propyl]-2-[(2R)-N,2-dimethyloctanamido]-4-methylpentanimidic acid
Derivative SMILES:CCCCCC[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(O)=N[C@H](C(=O)N(C)[C@H](C(=O)N1C[C@@H](O[Si](C)(C)C)C[C@H]1C(=O)N1C(=O)C=C[C@@H]1C)C(C)C)[C@@H](C)OC(C)=O
Derivative InChIKey:InChIKey=APVPYHMQNDVIMU-RLGVMRQBSA-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:C38H63N5O9
Molecular Weight (Monoisotopic Mass):733.4626 Da
Derivative Type:TMS_1_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