Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 70eV, Positive (FDB017474)

Spectrum Details
FooDB ID:FDB017474
Compound Name:Bn-NCC-1
Derivative IUPAC Name:Not Available
Derivative SMILES:C=CC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(C3C4=C(C(=O)C3C(=O)O[Si](C)(C)C)C(C)=C(CC3=C(CCOC(=O)CC(=O)O)C(C)=C(C=O)[NH]3)N4[Si](C)(C)C)[NH]2)NC1=O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 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
Relative Intensity
20406080100
20406080100050100150200250300350400450500550600650700750800850
050100150200250300350400450500550600650700750800850
m/z
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:C37H40N4O11
Molecular Weight (Monoisotopic Mass):716.2694 Da
Derivative Type:TMS_2_9
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=CC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(C3C4=C(C(=O)C3C(=O)O[Si](C)(C)C)C(C)=C(CC3=C(CCOC(=O)CC(=O)O)C(C)=C(C=O)[NH]3)N4[Si](C)(C)C)[NH]2)NC1=O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file762 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available