Chemical changes of Angelicae Sinensis Radix and Chuanxiong Rhizoma by wine treatment: chemical profiling and marker selection by gas chromatography coupled with triple quadrupole mass spectrometry

Table 1 Mass spectra properties of the marker chemicals

No.	Chemical	Formula	Molecular weight	Precursor ion¹	Product ion²	Retention time (min)³
1	Ferulic acid	C₁₀H₁₀O₄	194.18	150	107	9.518
1	Ferulic acid	C₁₀H₁₀O₄	194.18	150	135	9.518
2	Butylphthalide	C₁₂H₁₄O₂	190.24	133	51	13.682
2	Butylphthalide	C₁₂H₁₄O₂	190.24	133	77	13.682
3	Z-Butylidenephthalide	C₁₂H₁₂O₂	188.22	159	103	13.922
3	Z-Butylidenephthalide	C₁₂H₁₂O₂	188.22	159	131	13.922
4	Senkyunolide A	C₁₂H₁₆O₂	192.25	107	77	14.453
4	Senkyunolide A	C₁₂H₁₆O₂	192.25	107	79	14.453
5	Z-Ligustilide	C₁₂H₁₄O₂	190.24	148	77	14.624
5	Z-Ligustilide	C₁₂H₁₄O₂	190.24	148	105	14.624

¹The ion with the highest relative intensity was used as the precursor ion for quantification.
²Two product ions were used for the MRM analysis. The upper ion was used for quantitative analysis and the lower ion was used for qualitative analysis, which could guarantee the precision of the analytes.
³The retention time was determined by three different individual analyses (n=3).

ISSN: 1749-8546