Analysis of calcium adduct molecules of paeoniflorin and albiflorin using electrospray ionization quadrupole time-of-flight mass spectrometry

作者：Guo, Ze-Qin; Fang, Dong-Mei; Wu, Zhi-Jun^*; Zhang, Guo-Lin

来源：International Journal of Mass Spectrometry, 2013, 338: 57-60.

DOI：10.1016/j.ijms.2013.01.001

• Electrospray
• Paeoniflorin
• Albiflorin
• Hydrated product ions
• QTOF
• Calcium adduct molecules

Paeoniflorin and albiflorin were investigated by electrospray quadrupole time-of-flight mass spectrometry (ESI-QTOF-MS) in positive-ion mode, when ultrapure water was selected as solvent. In full-scan mode, the ions [M+H2O+Ca](2+), [M+2H(2)O+Ca](2+), [2M+Ca](2+), [3M+Ca](2+), and [4M+Ca](2+) as the primary ions were detected. Low-energy collision-induced experiments for the precursor[M+H2O+Ca](2+) and [2M+Ca](2+) ions provided many interesting productions. Most product ions are formed by combinations of a paeoniflorin (or albiflorin) molecule, benzoic acid anion, aglycone moiety, glucosyl group, H2O, or Ca2+ ion. Strong noncovalent bond formed by Ca2+ and O atom of neutral molecules and proper coordination number might contribute to producing these complex ions. A labeling experiment involving HID exchange of paeoniflorin indicates the H2O molecule did not come from solvent. Although the fragmentation patterns of the isomers of paeoniflorin and albiflorin are similar, they can be completely distinguished by the MS/MS spectra of either [M+H2O+Ca](2+) or [2M+Ca](2+).

• 出版日期2013-3-15
• 单位中国科学院成都生物研究所; 重庆大学