TY - JOUR
T1 - Untargeted mass spectrometry-based metabolomics approach unveils molecular changes in raw and processed foods and beverages
AU - Gauglitz, Julia M.
AU - Aceves, Christine M.
AU - Aksenov, Alexander A.
AU - Aleti, Gajender
AU - Almaliti, J.
AU - Bouslimani, A.
AU - Brown, Elizabeth A.
AU - Campeau, Anaamika
AU - Caraballo-Rodríguez, Andrés Mauricio
AU - Chaar, Rama
AU - da Silva, Ricardo R.
AU - Demko, Alyssa M.
AU - Di Ottavio, Francesca
AU - Elijah, Emmanuel
AU - Ernst, Madeleine
AU - Ferguson, L.P.
AU - Holmes, Xavier
AU - Jarmusch, Alan K.
AU - Jiang, Lingjing
AU - Kang, Kyo Bin
AU - Koester, I.
AU - Kwan, B.
AU - Li, Jie
AU - Li, Yueying
AU - Melnik, Alexey V.
AU - Molina-Santiago, Carlos
AU - Ni, B.
AU - Oom, Aaron L.
AU - Panitchpakdi, Morgan W.
AU - Petras, Daniel
AU - Quinn, Robert
AU - Sikora, Nicole
AU - Spengler, Katharina
AU - Teke, B.
AU - Tripathi, Anupriya
AU - Ul-Hasan, S.
AU - van der Hooft, Justin J.J.
AU - Vargas, Fernando
AU - Vrbanac, Alison
AU - Vu, Anthony Q.
AU - Wang, Steven C.
AU - Weldon, K.
AU - Wilson, K.
AU - Wozniak, Jacob M.
AU - Yoon, Michael
AU - Bandeira, Nuno
AU - Dorrestein, Pieter C.
PY - 2020/1/1
Y1 - 2020/1/1
N2 - In our daily lives, we consume foods that have been transported, stored, prepared, cooked, or otherwise processed by ourselves or others. Food storage and preparation have drastic effects on the chemical composition of foods. Untargeted mass spectrometry analysis of food samples has the potential to increase our chemical understanding of these processes by detecting a broad spectrum of chemicals. We performed a time-based analysis of the chemical changes in foods during common preparations, such as fermentation, brewing, and ripening, using untargeted mass spectrometry and molecular networking. The data analysis workflow presented implements an approach to study changes in food chemistry that can reveal global alterations in chemical profiles, identify changes in abundance, as well as identify specific chemicals and their transformation products. The data generated in this study are publicly available, enabling the replication and re-analysis of these data in isolation, and serve as a baseline dataset for future investigations.
AB - In our daily lives, we consume foods that have been transported, stored, prepared, cooked, or otherwise processed by ourselves or others. Food storage and preparation have drastic effects on the chemical composition of foods. Untargeted mass spectrometry analysis of food samples has the potential to increase our chemical understanding of these processes by detecting a broad spectrum of chemicals. We performed a time-based analysis of the chemical changes in foods during common preparations, such as fermentation, brewing, and ripening, using untargeted mass spectrometry and molecular networking. The data analysis workflow presented implements an approach to study changes in food chemistry that can reveal global alterations in chemical profiles, identify changes in abundance, as well as identify specific chemicals and their transformation products. The data generated in this study are publicly available, enabling the replication and re-analysis of these data in isolation, and serve as a baseline dataset for future investigations.
KW - Fermentation
KW - Food
KW - LC-MS/MS
KW - Metabolomics
KW - Molecular networking
KW - Tea
KW - Untargeted mass spectrometry
KW - Yogurt
U2 - 10.1016/j.foodchem.2019.125290
DO - 10.1016/j.foodchem.2019.125290
M3 - Article
C2 - 31404873
AN - SCOPUS:85070219906
SN - 0308-8146
VL - 302
JO - Food Chemistry
JF - Food Chemistry
M1 - 125290
ER -