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Spectrum Details
HMDB ID:HMDB0260139
Compound Name:(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Derivative IUPAC Name:Not Available
Derivative SMILES:C[Si](C)(C)OC(=O)C(CCCNC(=N)N)N=C(O)C(CCCNC(=N)N)N=C(O[Si](C)(C)C)C(N)CCCNC(=N)N
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - (2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid GC-MS (TMS_2_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:C18H38N12O4
Molecular Weight (Monoisotopic Mass):486.3139 Da
Derivative Type:TMS_2_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)C(CCCNC(=N)N)N=C(O)C(CCCNC(=N)N)N=C(O[Si](C)(C)C)C(N)CCCNC(=N)N)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file745 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available