Metabolomics

Dataset Information

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A high-resolution Orbitrap mass spectral library for trace volatile compounds in fruit wines


ABSTRACT: The overall aroma is an important factor of the sensory quality of fruit wines, which attributed to hundreds of volatile compounds. However, the qualitative 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 qualitative determination in fruit wines by GC-Orbitrap-MS, a high-resolution mass spectral library, including 22 esters, 11 carbonyl compounds, 10 high alcohols, 7 lactones, 6 acids, 6 furans, 5 pyrazines, 5 terpenes, 4 benzenes, 4 volatile phenols and 1 sulfide, was developed in this study. Not only the HRMS spectrum but also the exact ion fragment, relative abundance, retention indices (RI), CAS number, chemical structure diagram, aroma description and aroma threshold 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.

INSTRUMENT(S): Gas Chromatography MS - positive

SUBMITTER: Baoqing Zhu 

PROVIDER: MTBLS3840 | MetaboLights | 2022-08-12

REPOSITORIES: MetaboLights

Dataset's files

Source:
Action DRS
MTBLS3840 Other
FILES Other
a_MTBLS3840_GC-MS_positive__metabolite_profiling.txt Txt
files-all.json Other
i_Investigation.txt Txt
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