Predicted GC-MS Spectrum - 4-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid GC-MS (TMS_2_2) - 70eV, Positive (HMDB0250374)
Spectrum Details
HMDB ID: | HMDB0250374 |
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Compound Name: | 4-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid |
Derivative IUPAC Name: | Not Available |
Derivative SMILES: | C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(N(CCCl)CCOS(C)(=O)=O)C=C1)[Si](C)(C)C |
Derivative InChIKey: | Not Available |
Spectrum Type: | Predicted GC-MS Spectrum - 4-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic 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 |
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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: | C17H23ClN2O8S |
Molecular Weight (Monoisotopic Mass): | 450.0864 Da |
Derivative Type: | TMS_2_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)CCC(C(=O)O)N(C(=O)C1=CC=C(N(CCCl)CCOS(C)(=O)=O)C=C1)[Si](C)(C)C)
Documentation
Document Description | Download | File Size |
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List of m/z values for the spectrum (TXT) | Download file | 747 Bytes |
mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available