Perform Volcano plot analysis on selected experimental conditions followed by MS search on significant features

Group1Experimental factorGroup2
S-S PyC2-Gly (uM):0.661122479 (1)
S-S PyC2-Gly (uM):0.896263219 (1)
S-S PyC2-Gly (uM):1.073769761 (1)
S-S PyC2-Gly (uM):1.305671401 (1)
S-S PyC2-Gly (uM):1.355308771 (1)
S-S PyC2-Gly (uM):1.649906706 (1)
S-S PyC2-Gly (uM):1.777493937 (1)
S-S PyC2-Gly (uM):1.962773038 (1)
S-S PyC2-Gly (uM):10.26343373 (1)
S-S PyC2-Gly (uM):10.90650247 (1)
S-S PyC2-Gly (uM):11.33459235 (1)
S-S PyC2-Gly (uM):11.4693434 (1)
S-S PyC2-Gly (uM):11.89971283 (1)
S-S PyC2-Gly (uM):11.91846821 (1)
S-S PyC2-Gly (uM):12.10417182 (1)
S-S PyC2-Gly (uM):12.20385185 (1)
S-S PyC2-Gly (uM):12.21886353 (1)
S-S PyC2-Gly (uM):12.54000382 (1)
S-S PyC2-Gly (uM):13.48218633 (1)
S-S PyC2-Gly (uM):13.84936927 (1)
S-S PyC2-Gly (uM):14.33894598 (1)
S-S PyC2-Gly (uM):14.35487877 (1)
S-S PyC2-Gly (uM):14.58118808 (1)
S-S PyC2-Gly (uM):14.74088918 (1)
S-S PyC2-Gly (uM):15.31049025 (1)
S-S PyC2-Gly (uM):15.6512718 (1)
S-S PyC2-Gly (uM):15.78374491 (1)
S-S PyC2-Gly (uM):15.7907918 (1)
S-S PyC2-Gly (uM):16.70920489 (1)
S-S PyC2-Gly (uM):16.80832584 (1)
S-S PyC2-Gly (uM):17.39141836 (1)
S-S PyC2-Gly (uM):17.42605527 (1)
S-S PyC2-Gly (uM):17.51110809 (1)
S-S PyC2-Gly (uM):18.40527598 (1)
S-S PyC2-Gly (uM):19.13551849 (1)
S-S PyC2-Gly (uM):19.32974437 (1)
S-S PyC2-Gly (uM):19.74812495 (1)
S-S PyC2-Gly (uM):2.144816242 (1)
S-S PyC2-Gly (uM):2.191310627 (1)
S-S PyC2-Gly (uM):2.389070356 (1)
S-S PyC2-Gly (uM):2.60009726 (1)
S-S PyC2-Gly (uM):2.611884254 (1)
S-S PyC2-Gly (uM):2.636236777 (1)
S-S PyC2-Gly (uM):2.647693773 (1)
S-S PyC2-Gly (uM):2.70618981 (1)
S-S PyC2-Gly (uM):2.729404964 (1)
S-S PyC2-Gly (uM):2.946623324 (1)
S-S PyC2-Gly (uM):20.16881392 (1)
S-S PyC2-Gly (uM):21.24909392 (1)
S-S PyC2-Gly (uM):21.3933348 (1)
S-S PyC2-Gly (uM):22.14331628 (1)
S-S PyC2-Gly (uM):24.14083515 (1)
S-S PyC2-Gly (uM):24.17067909 (1)
S-S PyC2-Gly (uM):24.33782275 (1)
S-S PyC2-Gly (uM):24.6165696 (1)
S-S PyC2-Gly (uM):25.26453704 (1)
S-S PyC2-Gly (uM):27.12207937 (1)
S-S PyC2-Gly (uM):27.29288984 (1)
S-S PyC2-Gly (uM):27.31494841 (1)
S-S PyC2-Gly (uM):27.43510269 (1)
S-S PyC2-Gly (uM):29.92081902 (1)
S-S PyC2-Gly (uM):3.033298892 (1)
S-S PyC2-Gly (uM):3.194246294 (1)
S-S PyC2-Gly (uM):3.205139411 (1)
S-S PyC2-Gly (uM):3.208070941 (1)
S-S PyC2-Gly (uM):3.44802708 (1)
S-S PyC2-Gly (uM):3.451032299 (1)
S-S PyC2-Gly (uM):3.540195663 (1)
S-S PyC2-Gly (uM):3.592873494 (1)
S-S PyC2-Gly (uM):3.642578145 (1)
S-S PyC2-Gly (uM):3.697232757 (1)
S-S PyC2-Gly (uM):3.916190811 (1)
S-S PyC2-Gly (uM):3.927087132 (1)
S-S PyC2-Gly (uM):3.981741743 (1)
S-S PyC2-Gly (uM):30.2902847 (1)
S-S PyC2-Gly (uM):32.90436841 (1)
S-S PyC2-Gly (uM):36.45067543 (1)
S-S PyC2-Gly (uM):36.55701788 (1)
S-S PyC2-Gly (uM):4.007673769 (1)
S-S PyC2-Gly (uM):4.01273266 (1)
S-S PyC2-Gly (uM):4.081939194 (1)
S-S PyC2-Gly (uM):4.369389322 (1)
S-S PyC2-Gly (uM):4.371558334 (1)
S-S PyC2-Gly (uM):4.424345096 (1)
S-S PyC2-Gly (uM):4.605946167 (1)
S-S PyC2-Gly (uM):4.697070293 (1)
S-S PyC2-Gly (uM):4.773184344 (1)
S-S PyC2-Gly (uM):4.793871655 (1)
S-S PyC2-Gly (uM):4.907544532 (1)
S-S PyC2-Gly (uM):46.94037201 (1)
S-S PyC2-Gly (uM):5.10490538 (1)
S-S PyC2-Gly (uM):5.122597083 (1)
S-S PyC2-Gly (uM):5.302115647 (1)
S-S PyC2-Gly (uM):5.424845831 (1)
S-S PyC2-Gly (uM):5.635031722 (1)
S-S PyC2-Gly (uM):5.677655847 (1)
S-S PyC2-Gly (uM):5.682980659 (1)
S-S PyC2-Gly (uM):5.699413246 (1)
S-S PyC2-Gly (uM):5.722115783 (1)
S-S PyC2-Gly (uM):5.849318552 (1)
S-S PyC2-Gly (uM):5.884391184 (1)
S-S PyC2-Gly (uM):6.100137371 (1)
S-S PyC2-Gly (uM):6.359737964 (1)
S-S PyC2-Gly (uM):6.536321795 (1)
S-S PyC2-Gly (uM):7.015477962 (1)
S-S PyC2-Gly (uM):7.257308358 (1)
S-S PyC2-Gly (uM):7.288058986 (1)
S-S PyC2-Gly (uM):7.332073585 (1)
S-S PyC2-Gly (uM):7.406909297 (1)
S-S PyC2-Gly (uM):7.541508172 (1)
S-S PyC2-Gly (uM):7.652869466 (1)
S-S PyC2-Gly (uM):7.658783787 (1)
S-S PyC2-Gly (uM):7.722428424 (1)
S-S PyC2-Gly (uM):7.74199118 (1)
S-S PyC2-Gly (uM):7.787888046 (1)
S-S PyC2-Gly (uM):7.802864479 (1)
S-S PyC2-Gly (uM):7.819537356 (1)
S-S PyC2-Gly (uM):8.046546705 (1)
S-S PyC2-Gly (uM):8.152530323 (1)
S-S PyC2-Gly (uM):8.507918257 (1)
S-S PyC2-Gly (uM):8.527019658 (1)
S-S PyC2-Gly (uM):8.706474145 (1)
S-S PyC2-Gly (uM):8.835080203 (1)
S-S PyC2-Gly (uM):9.152553683 (1)
S-S PyC2-Gly (uM):9.438853626 (1)
S-S PyC2-Gly (uM):9.599581564 (1)
S-S PyC2-Gly (uM):9.688485416 (1)
S-S PyC2-Gly (uM):9.811882002 (1)
S-S PyC2-Gly (uM):9.857069213 (1)
S-S PyC2-Gly (uM):not detected (14)
S-S PyC2-Gly (uM):reference standard (23)

Filtering Parameters
Select threshold % for selection below:
Option 1: No filtering
Option 2: Filter by Sum (Analytes whose sum for all samples falls below the threshold % will be excluded)
Option 3: Filter by Mean (Analytes whose mean for all samples falls below the threshold % will be excluded)
Option 4: Filter by Median (Analytes whose median for all samples falls below the threshold % will be excluded)
Option 5: Filter by Sample threshold       must exceed the above threshold per analyte
In order for an analyte to be retained, the % of samples in one/both groups which are non-zero must exceed the threshold.
Option 6: Remove all analytes containing null values
Sample Normalization Parameters
Normalize samples by:
Volcano Plot Parameters
P-value cutoff: Fold-change cutoff:
MS Search Parameters
Search Refmet database
MS Ion polarity:POSITIVE MS search m/z tolerance:    Feature order:
Ion adducts(choose at least one)
Positive mode:
 [M+H]+ [M+H-H2O]+ [M+Na]+ [M+NH4]+ [M+K]+ [M+2H]2+ [M+2Na]2+ [M+2Na-H]+
[M+H-EtnP]+ [M+H-SerP]+
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