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. 2025 May 1;14:RP107067. doi: 10.7554/eLife.107067

Table 1. Enriched compounds in fractions 7 and 8.

RT (min) [M]+ Obs. m/z Calc. m/z Error (ppm) [M]- Obs. m/z Calc. m/z Error (ppm) Formula ID
15.05 ND - - - M-H 229.1808 229.1809 0.46 C13H26O3 Unknown. Likely hydroxylated fatty acid
15.1 M+H 454.2917 454.2928 2.37 M-H 452.2782 452.2783 0.24 C21H44NO7P LPE(0/16:0)*
15.12 ND - - - M-H 243.1964 243.1966 0.54 C14H28O3 Unknown. Likely hydroxylated fatty acid
15.16 M+H 335.3047 335.3057 3.09 ND - - - C21H38N2O Unknown
15.25 ND - - - M-H 241.1809 241.1809 0.06 C14H26O3 Unknown. Likely hydroxylated fatty acid
15.32 ND - - - M-H 243.1964 243.1966 0.51 C14H28O3 Unknown. Likely hydroxylated fatty acid
15.38 M+H 454.2918 454.2928 2.27 M-H 452.2781 452.2783 0.30 C21H44NO7P LPE(16:0/0)
15.39 M+H 496.3388 496.3398 1.85 M+formate 540.3296 540.3307 2.03 C24H51NO7P LPC(0/16:0)
15.56 M+H 546.3548 546.3554 1.15 M+formate 590.3465 590.3463 –0.21 C28H53NO7P LPC(20:3/0)*
15.68 M+H 496.3389 496.3398 1.80 M+formate 540.3297 540.3307 1.89 C24H51NO7P LPC(16:0/0)
15.76 M+H 522.3548 522.3554 1.25 M+formate 566.3469 566.3463 –0.96 C26H53NO7P LPC(0/18:1)*
16.01 M+H 522.3546 522.3554 1.65 M+formate 566.3468 566.3463 –0.86 C26H53NO7P LPC(18:1/0)
21.86 M+H (?) 536.1646 - - ND - - - ? Unknown

ND; not detected.

*

Predicted metabolite based on molecular formula and MS/MS fragmentation.

Likely polysiloxane or similar contaminant. Detected most strongly in fraction 8, but additionally in fractions 4 and 5.