metabolite_name Fc_1 Fc_2 Nperm_1 Nperm_2 Nl_1 Nl_2 Nl_32ppt-1C_1 Nl_32ppt-1C_2 Nl_32ppt-1C_3 Nl_32ppt4C_1 Nl_32ppt4C_2 Nl_32ppt4C_3 Nl_41ppt-1C_1 Nl_41ppt-1C_2 Nl_41ppt-1C_3 Nl_41ppt4C_1 Nl_41ppt4C_2 Nl_41ppt4C_3 Npell_1 Npell_2 Npell_3 Cysteic Acid 0.220308128 0.180471397 38.93058894 47.73955314 1.79630068 2.573834052 0.451618071 0.49157852 0.483654448 0.322380339 0.257077757 0.432169789 0.213342879 0.280651409 0.236813466 0.370011503 0.276918049 0.274553617 DHPS 205.1945008 217.5637618 71.32511869 80.4518594 34.66824326 33.18666562 41.31862866 29.22191195 23.47146157 32.21356354 32.75438582 40.3458025 35.1679633 63.83991191 33.39737247 34.59442417 7.191210725 3.069111334 2.810251636 Isethionic Acid 1036.940614 909.4273807 0.333396755 0.188736694 1.559017281 0.313406235 0.02400944 0.022469527 0.023298774 0.050380358 0.044745878 0.048401826 0.042865604 0.035874663 0.027861386 L-Pyroglutamic acid 2.568606578 2.212950335 10.49756325 13.55793016 1.871343159 2.60337302 0.908882395 0.95367034 1.186045876 0.377215007 0.386287727 0.59671078 0.749597316 0.829637875 0.759777659 0.643583351 0.418551353 0.596552437 21.11499564 13.52200313 12.79691343 Sucrose 0.036684942 0.043287353 0.028184314 0.104058566 0.040666763 0.135520841 0.041580783 0.052382281 0.178537884 0.061821958 0.28590915 Sulfolactic Acid 0.003837326 0.007451488 0.004441515 0.006770601 0.036844077 0.042405272 0.003984052 0.005242126 0.01558195 0.030448103 0.027774478 0.053616041 0.008838588 0.007004662 0.009488644 0.061659192 0.046209417 0.039208448 Taurine 342.9803485 341.5099969 0.53981803 0.122821752 0.088859694 0.104881747 0.105480207 0.378777795 0.360269576 0.347204642 0.092183839 0.119254789 0.104301346 0.43884965 0.351090828 0.278562739 Trehalose 0.0505798 0.064189205 0.00312502 0.023300023 0.007525223 0.005173465 0.012639175 0.010232693 0.0156806 0.013538649 0.015893105 0.012209089 0.01632141 metabolite_name quantitated m/z KEGG_ID CHEBI KEGGNAME MS_method Cysteic Acid 167.996671 C00506 CHEBI:17285 L-Cysteate; L-Cysteic acid; 3-Sulfoalanine; 2-Amino-3-sulfopropionic acid HILIC_QE_Neg DHPS 155.001422 C19675 CHEBI:60997 (R)-2,3-Dihydroxypropane-1-sulfonate HILIC_QE_Neg Isethionic Acid 124.990857 C05123 CHEBI:1157 2-Hydroxyethanesulfonate; 2-Hydroxyethanesulfonic acid; 2-Hydroxyethane-1-sulfonic acid; Isethionic acid; Isethionate HILIC_QE_Neg L-Pyroglutamic acid 128.034768 C01879 CHEBI:18183 5-Oxoproline; Pidolic acid; Pyroglutamic acid; 5-Pyrrolidone-2-carboxylic acid; Pyroglutamate; 5-Oxo-L-proline; L-Pyroglutamic acid; L-5-Pyrrolidone-2-carboxylic acid HILIC_QE_Neg Sucrose 341.10839 C00089 CHEBI:17992 Sucrose; Cane sugar; Saccharose; 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside HILIC_QE_Neg Sulfolactic Acid 168.980687 C16069 CHEBI:50519 3-Sulfolactate HILIC_QE_Neg Taurine 124.006841 C00245 CHEBI:15891 Taurine; 2-Aminoethanesulfonic acid; Aminoethylsulfonic acid HILIC_QE_Neg Trehalose 341.10839 C01083 CHEBI:16551 alpha,alpha-Trehalose; alpha,alpha'-Trehalose; Trehalose HILIC_QE_Neg