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. 2024 Jan 25;15(3):527–538. doi: 10.1021/acschemneuro.3c00587

Table 1. Discriminatory Metabolites Discovered by the Targeted Metabolomics Approach in 6-Month 5xFAD Transgenic Mice.

metabolite names PubChem CID chemical formula metabolic pathway retention time (min) measured m/z mass accuracy (ppm) fold change p value
sphinganine 91486 C18H39NO2 sphingolipid metabolism 9.0 302.3050 1.4 0.5 0.011
3-dehydrosphinganine 439853 C18H37NO2 sphingolipid metabolism 0.6 300.2892 1.7 1.5 0.028
l-valine 6287 C5H11NO2 valine, leucine and isoleucine biosynthesis 2.2 116.0703 2.4 0.5 0.005
d-erythro-3-Methylmalate 440892 C5H8O5 valine, leucine and isoleucine biosynthesis 0.8 147.0286 1.5 1.2 0.011
2-methylmaleate 643798 C5H6O4 valine, leucine and isoleucine biosynthesis 1.1 129.0179 2.0 1.2 0.009
l-leucine 6106 C6H13NO2 valine, leucine and isoleucine biosynthesis 1.3 130.0860 1.3 0.6 0.043
N-acetyl-l-aspartate 65065 C6H9NO5 alanine, aspartate and glutamate metabolism 0.8 174.0397 0.0 2.3 0.010
l-glutamine 5961 C5H10N2O3 alanine, aspartate and glutamate metabolism 1.3 147.0763 0.4 1.3 0.023
N-acetylisatin 11321 C10H7NO3 tryptophan metabolism 9.8 190.0497 1.3 0.6 <0.001
5-methoxyindoleacetate 18986 C11H11NO3 tryptophan metabolism 4.7 206.0812 0.0 2.2 0.018
2-aminophenol 5801 C6H7NO tryptophan metabolism 3.4 108.0441 3.2 0.7 0.026
(R)-(indol-3-yl)lactate 676158 C11H11NO3 tryptophan metabolism 5.1 204.0657 1.0 1.4 0.026
indoxyl 50591 C8H7NO tryptophan metabolism 3.5 134.0599 1.4 1.8 0.038
6-hydroxykynurenate 440752 C10H7NO4 tryptophan metabolism 3.7 204.0293 0.9 2.1 0.015
leukotriene B4 5280492 C20H32O4 arachidonic acid metabolism 7.3 337.2368 1.9 0.8 0.027
leukotriene E4 5280879 C23H37NO5S arachidonic acid metabolism 4.7 438.2293 3.5 0.4 0.029
20-HETE 5283157 C20H32O3 arachidonic acid metabolism 10.5 319.2273 1.8 0.8 0.033
arachidonic acid 444899 C20H32O2 arachidonic acid metabolism 10.2 305.2472 1.0 0.8 0.050