metabolite_name 32ppt-1C_A 32ppt-1C_B 32ppt-1C_C 32ppt4C_A 32ppt4C_B 32ppt4C_C 40ppt-1C_A 40ppt-1C_B 40ppt-1C_C 40ppt4C_A 40ppt4C_B 40ppt4C_C MediaBlk_ppt32 MediaBlk_ppt40 Arginine 3001743.408 3353997.62 3473641.388 2047106.722 1698512.647 2573092.073 2335450.843 3500449.538 3087854.396 2421586.241 2355497.196 2250111.394 1879293 1509344 Betaine 56366274.51 57471124.47 62389815.5 52668001.74 42033883.89 46236727.8 58787152.39 81983985.9 69842894.74 106876016.9 88522521.17 85193418.45 290210241.2 405191332.6 DMSP 84298805.04 88753782.64 91901779.29 53419515.17 43157476.06 50160089.24 77844264.95 107686663 94006701.58 106265384.7 85811727 85883007 0 0 Glutamic acid 1437396.143 1426585.312 1581338.874 631602.5971 635460.1096 804831.9477 929326.352 1223627.23 988213.4447 790644.5926 687145.0704 644907.4562 11948 22690 Glutamine 1012372.1 962250.7983 1112967.323 983365.3264 929346.839 891417.8508 891061.3904 1022730.047 987494.6924 1173204.373 1061338.592 972871.6375 81580 99379 Proline 6544300.099 7656239.487 7636082.312 3694745.551 3403697.603 4411326.56 14468261.5 18856393.64 15358434.32 12977585.27 9521670.421 9583883.542 1317050.067 1547480.596 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 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 Proline 116.071154 L-Proline; 2-Pyrrolidinecarboxylic acid CHEBI:17203 HILIC_QE_Pos C00148