三聚吡咯/丝组缀合物的电喷雾电离质谱裂解规律研究

ESI-MS Fragmentation Pathways of N-Methylpyrrole Polyamide/Peptide Conjugates

摘要: 利用电喷雾离子阱质谱研究了三聚吡咯/丝组缀合物的质谱裂解规律，结果发现：主要裂解途径包括环系与羰基之间的碳碳键断裂、酰胺键断裂以及碳氮键的断裂；如果一个化合物的多级质谱具有特征的M-100⁺碎片离子，那么该化合物很有可能含有Boc官能团；如果一个化合物的多级质谱同时具有特征的M-100+碎片离子和M-137⁺碎片离子, 那么该化合物很有可能是含有Boc保护的组氨酸的化合物。

Abstract: MS/MS fragmentation pathways of polyamide/peptide conjugates, which are synthetic analogues of natural products with DNA affinity are discussed. The main fragmentation pathways involve the cleavage of the C-CO between rings and carbonyl groups, CO-NH amide bonds and NH-C bond between the NH groups and the ring. The fragment ions at M-100⁺in the MS/MS spectra of the M+H⁺ ions of compounds prove the compound containing his group. If the MS/MS spectra of a compound shows characteristic M-100⁺ ions and M-137⁺ ions, that means this compound has a histidine containing Boc group.