RSD - PLOS

Table S3. List of relative standard deviations (RSD) for all 139 measured metabolites Phospholipids* LPE (16:0) LPE (18:0) LPE (18:1) LPE (18:2) LPE (20:3- ω3ω6) LPE (20:4) LPE (20:5) LPE (22:5-ω3)

RSD 5% 3% 5% 5% 8% 5% 10% 9%

Fatty acids* FA (14:0) FA (14:1) FA (15:0) FA (16:0) FA (16:1) FA (17:0) FA (17:1) FA(18:0)

RSD 8% 26% 23% 7% 5% 12% 11% 9%

RSD 6% 6% 7% 7% 8% 8% 10% 11%

Amines Ethanolamine Ornithine Lysine Glycine Sarcosine Alanine 3-Aminoisobutyric acid α-aminobutyric acid

RSD 6% 3% 5% 4% 10% 3% 6% 3%

3% 3% 3%

Oxylipins 9,10-DiHOME 12,13-DiHOME TXB2 13-HODE 14-HDoHE 13-HDoHE 14,15-DiHETrE 13,14-dihydroPGF2a 9-HODE 19,20-DiHDPA 11-HETE

LPE (22:5-ω6) LPE (22:6) sn2-LPC (14:0) a

22% 4% 11%

sn1-LPC (14:0) b sn1-LPC (15:0) sn2-LPC (16:0) sn1-LPC (16:0)

6% 7% 7% 2%

sn2-LPC (16:1) sn1-LPC (16:1) sn2-LPC (18:0) sn1-LPC (18:0) sn2-LPC (18:1) sn1-LPC (18:1) sn2-LPC (18:2) sn1-LPC (18:2) sn2-LPC (18:3-ω3ω6) sn1-LPC (18:3-ω3ω6) sn1-LPC (19:0) sn1-LPC (20:1) sn1-LPC (20:2) sn2-LPC (20:3-ω3ω6) sn1-LPC (20:3-ω3ω6) sn1-LPC (20:3-ω9) sn2-LPC (20:4) sn1-LPC (20:4) sn2-LPC (20:5) sn1-LPC (20:5) sn1-LPC (22:4) sn1-LPC (22:5-ω3) d sn1-LPC (22:5-ω6)

8% 6% 3% 2% 4% 6% 8% 7% 20% 7% 24% 13% 7% 9% 9% 17% 6% 8% 9% 8% 9% 8% 9%

FA (18:1) FA (18:2) FA (18:3ω3ω6) FA (20:0) FA (20:1) FA (20:2) FA (20:3ω3ω6) FA (20:3-ω9) FA (20:4-ω6) FA (20:5-ω3) FA (22:4) FA (22:5-ω3) FA (22:5-ω6) FA (22:6) FA (24:0) FA (24:1)

11% 12% 13%

Serine Cystathionine Proline

4% 7% 14%

18% 8% 13% 6%

15S-HETrE 10-HDoHE 5,6-DiHETrE 11,12-DiHETrE

14% 15% 16% 16%

Valine Threonine Cysteine Taurine

4% 4% 6% 4%

20% 4% 6% 6% 3% 4% 6% 15% 9%

LTB4 8,9-DiHETrE 9,10-EpOME 5-HETE PGE2 17,18-DiHETE 12-HETE 20-carboxy-LTB4 TXB1 12,13-EpOME 9-HOTrE 11-HDoHE 9,12,13-TriHOME TXB3 8-HETE 12S-HHTrE

17% 17% 17% 18% 18% 18% 18% 18% 19% 19% 20% 20% 20% 21% 22% 30%

Pipecolic acid Isoleucine Leucine 4-Hydroxyproline Asparagine Glycylglycine Aspartic acid s-Methylcysteine Homocysteine O-Phosphoethanolamine Glutamine Glutamic acid Methionine Histidine Methionine sulfoxide Phenylalanine 1-Methylhistidine Arginine Citrulline Serotonin Tyrosine Tryptophan Kynurenine

6% 3% 4% 3% 3% 4% 4% 5% 7% 14% 4% 4% 4% 5% 9% 3% 15% 8% 3% 11% 4% 4% 4%

sn2-LPC (22:6) sn1-LPC (22:6) LPC (O-16:0) c LPC (O-18:0) LPC (O-18:1) LPC (O-18:2)

8% 7% 6% 12% 6% 19%

γ-glutamylalanine Glutathione

The RSDs were calculated on the metabolites in the QC samples. The "sn1-” or “sn2-” prefix is used to indicate the position of the fatty acid chain esterified to the glycerol backbone of a lysophospholipid. The 'O-' prefix is used to identify a plasmalogen lysophospholipid, where the fatty acid chain is attached via a vinyl ether linkage to the glycerol backbone. The ‘ω3’, ‘ω6’, ‘ω9’ are used to indicate double bond (C=C) at the third, sixed or ninth carbon atom from the end of the fatty acid chain. *The number in brackets represent the long-chain fatty acid attached in the lysophospholipids (e.g. FA(14:0) represents a fatty acid with 14 carbons and 0 double bonds).

LPE: lysophosphatidylethanolamine; LPC: lysophospholipids; FA: fatty acid; LTB4: leukotriene B 4 ; DiHDPA: dihydroxy-docosapentaenoic acid; DiHETE: dihydroxy-eicosatetraenoic acid; DiHETrE: dihydroxy-eicosatrienoic acid; DiHOME: dihydroxy-octadecenoic acid; PGF2a: prostaglandin F2α; EpOME: epoxy-octadecenoic acid; HDoHE: hydroxyl-docosahexaenoic acid; HEPE: hydroxy-eicosapentaenoic acid; HETE: hydroxyicosatetraenoic acid; HETrE: hydroxy-eicosatrienoic acid; HHTrE: hydroxy-heptadecatrienoic acid; HODE: hydroxyoctadecadienoic acid; HOTrE: hydroxy-octadecatrienoic acid; KODE: oxo-octadecadienoic acid; TriHOME: trihydroxy-octadecenoic acid.

12% 10%