Liu, Yaran published the artcileA high-resolution Orbitrap Mass spectral library for trace volatile compounds in fruit wines, Computed Properties of 505-10-2, the main research area is fruit wine blueberry gojiberry volatile compound odor HRMS library.
The overall aroma is an important factor of the sensory quality of fruit wines, which attributed to hundreds of volatile compounds However, the qual. determination of trace volatile compounds is considered to be very challenging work. GC-Orbitrap-MS with high resolution and high sensitivity provided more possibilities for the determination of volatile compounds, but without the high-resolution mass spectral library. For accuracy of qual. determination in fruit wines by GC-Orbitrap-MS, a high-resolution mass spectral library, including 76 volatile compounds, was developed in this study. Not only the HRMS spectrum but also the exact ion fragment, relative abundance, retention indexes (RI), CAS number, chem. structure diagram, aroma description and aroma threshold (ortho-nasally) were provided and were shown in a database website (Food Flavor Laboratory, http://foodflavorlab.cn/). HRMS library was used to successfully identify the volatile compounds mentioned above in 16 fruit wines (5 blueberry wines, 6 goji berry wines and 5 hawthorn wines). The library was developed as an important basis for further understanding of trace volatile compounds in fruit wines.
Scientific Data published new progress about Blueberry. 505-10-2 belongs to class alcohols-buliding-blocks, name is 3-(Methylthio)propan-1-ol, and the molecular formula is C4H10OS, Computed Properties of 505-10-2.
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts