| Analysis | Metabolite Name | Measured Value | Units | Pheotypes |
|---|---|---|---|---|
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.020923821 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.030096651 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.0369507 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.041111579 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.042370137 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.051626313 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.055748357 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.071219385 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.072580505 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.074789116 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.07873146 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.080706872 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.082382066 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.094525306 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.100672002 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.100729876 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.111069561 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.113563094 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.116774032 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.119292302 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.127066269 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.127660848 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.136067542 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.137919749 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.137978524 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.138591135 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.139422105 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.141097761 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.14468927 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.14762807 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.150625069 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.151197497 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.1513458 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.155429125 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.157343471 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.158672733 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.158794989 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.159454169 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.160127901 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.161447847 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.163501211 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.165080311 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.165248428 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.165374013 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.166460771 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.168375288 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.172635425 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.173475024 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.173502911 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.17567763 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.176503799 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.178585447 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.179423157 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.179804227 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.179996832 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.180690712 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.182653487 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.182925744 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.183056068 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.183841972 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.184954491 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.185843471 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.186806909 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.187188185 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.187732354 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.188305483 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.189277287 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.190525082 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.190552569 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.194704456 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.196427367 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.198184533 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.204380272 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.206050798 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.206492037 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.208129858 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.208181248 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.209884009 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.213683608 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.21469858 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.218032874 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.220312365 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.221229313 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.22897092 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.231548236 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.235288013 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.237324125 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.237550645 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.243372537 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.245042486 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.246659163 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.247089136 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.251503378 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.251629244 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.256084842 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.256435633 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.25696406 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.260358521 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.2659194 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.267952188 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.268179952 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.268724603 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.271720046 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.272714842 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.274156766 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.276163702 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.276195296 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.276270484 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.276895351 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.280686084 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.282388447 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.28308491 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.285749608 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.286084902 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.286387439 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.287452515 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.294470633 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.294512578 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.296042017 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.304084742 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.310185903 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.312137809 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.312353158 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.313635401 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.315806151 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.316053034 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.31804013 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.318096828 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.3197824 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.320547721 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.324602514 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.328614846 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.329911265 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.330136288 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.331625368 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.332993303 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.333248772 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.333518911 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.334701069 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.334835159 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.336655793 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.336871139 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.337727037 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.340192265 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.340233894 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.341764875 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.341900213 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.342315044 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.34322203 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.346245329 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.346342357 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.347093803 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.347596559 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.349223905 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.349423698 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.350194546 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.350847809 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.351012005 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.35163775 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.351908386 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.352148206 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.352360297 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.355271119 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.355643691 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.357572874 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.359216012 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.359545725 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.36251252 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.363540219 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.365538591 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.365873354 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.367697836 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.369305228 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.369398458 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.370216545 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.370858535 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.371529076 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.371735109 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.372388635 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.372427732 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.373410144 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.37404772 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.375337966 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.375925567 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.376062747 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.376414006 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.377242548 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.378360391 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.378439589 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.379355941 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.379479918 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.379719281 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.3813262 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.385217234 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.385875264 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.386232963 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.386755051 | peak height | Benign SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.386849684 | peak height | Maligant SPNS |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.387057956 | peak height | Healthy Controls |
| GC/LC POSITIVE ION MODE | pelargonic acid | 0.39009324 | peak height | Maligant SPNS |
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