Chemicals
Chemicals were from Sigma Aldrich (Merck; with reference numbers between parentheses): Mass Spectrometry Metabolite Library (MSMLS, IROA Technologies), 2-Oxoadipic acid (75447), 3- Iodo-L-Tyrosine (I8250), 5-Aminolevulinic acid (08339), α-Tocopherol (T3251), β-Gentiobiose (G3000), Betain (W422312), Chlorogenic acid (C3878), Choline (C1879), Citraconic acid (C82604), D-2-Aminobutyric acid (116122), D-3 phosphoglyceric acid (P8877), D-Erythronic acid (75025), D-Erythronic acid γ-lactone (374385), D-Galacturonic acid (48280), D-Glucuronic acid (G5269), Diaminopimelate (33240), D-Melibiose (92413), D-Pinitol (441252) , D-Quinic acid (138622), D-Threitol (377619), D-Xylonic acid γ-lactone (89339), Dulcitol (D0256), Galactinol (79544), Hydrocinnamic acid (135232), L-α-Glycerophosphocholine (G5291), Itaconic acid (I29204), L-carnitine (C0283), L-Cystathionine (C7505), Levoglucosan (06724), L-Fucose (F2252), L-Pyroglutamic acid (83160), Nicotinic acid (N4126), Norleucine (N6877), O-Acetyl-Serine (CDS020792), Phosphocholin (P0378), Sigmasterol (S2424), Sinapinic Acid (D7927), Mystiric acid (M3128), Tryptamine (193747), Urea (U5378), Xanthosine (CDS020790).