metabolite_name ASWFilterBlk_1 ASWFilterBlk_2 ASWFilterBlk_3 S2C_4 S2C_5 S2C_6 Arginine 998724860.7 38410690.43 131997020.2 4492823624 1205929204 1278397996 Betaine 173309192.1 94642799.03 108412027.2 2.17E+11 1.43E+11 1.74E+11 Choline 20519953.33 18795610 15920710 42893718588 14485766144 18472019200 DMSP 10188189.9 15233703.3 5995739.59 1.00E+11 86889304436 71480039050 Glutamic acid 16885660 15016280 15317213.33 4304664094 1910550400 2349847840 Glutamine 1124896.667 888733.3333 1291036.667 7023024941 3318025984 4148853120 Homarine 1750053.333 3889353.333 1204423.333 38830278776 16179766272 21784542720 Proline 501806.605 1712098.354 1097333.543 16562807576 5600457952 7864240295 Stachydrine hydrochloride 3408733.333 2874736.667 2229900 39700844424 17094471680 23501409280 metabolite_name quantitated m/z KEGGNAME CHEBI MS_method KEGG ID Arginine 175.119501 L-Arginine; (S)-2-Amino-5-guanidinovaleric acid; L-Arg CHEBI:16467 HILIC_QE_Pos C00062 Betaine 118.086804 Betaine; Trimethylaminoacetate; Glycine betaine; N,N,N-Trimethylglycine; Trimethylammonioacetate CHEBI:17750 HILIC_QE_Pos C00719 Choline 104.107539 Choline; Bilineurine CHEBI:15354 HILIC_QE_Pos C00114 DMSP 135.047977 S,S-Dimethyl-beta-propiothetin; S-Dimethylsulfonium propionic acid; Dimethylpropiothetin; DMPT; DMSP CHEBI:16457 HILIC_QE_Pos C04022 Glutamic acid 148.060984 L-Glutamate; L-Glutamic acid; L-Glutaminic acid; Glutamate CHEBI:16015 HILIC_QE_Pos C00025 Glutamine 147.076968 L-Glutamine; L-2-Aminoglutaramic acid CHEBI:18050 HILIC_QE_Pos C00064 Homarine 138.055503 CHEBI:69061 HILIC_QE_Pos Proline 116.071154 L-Proline; 2-Pyrrolidinecarboxylic acid CHEBI:17203 HILIC_QE_Pos C00148 Stachydrine hydrochloride 144.102454 Stachydrine; Proline betaine; L-Proline betaine CHEBI:35280 HILIC_QE_Pos C10172