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

Group1Experimental factorGroup2
Sample type:alm mix in MQ neg (3)
Sample type:alm mix in MQ pos (3)
Sample type:alm mix in MQ pos (new vial) (1)
Sample type:MQ Blank neg (9)
Sample type:MQ Blank neg (07.31.18 rerun some samples, new aliquot) (1)
Sample type:MQ Blank neg (batch 1) (1)
Sample type:MQ Blank neg (batch 2, 07.30.18) (1)
Sample type:MQ Blank pos (HSST3#5, probe 3, 07.27.18) (1)
Sample type:UW D13B61 neg (1)
Sample type:UW D13B7 neg (1)
Sample type:UW D13B84 neg (1)
Sample type:UW D16B61 neg (1)
Sample type:UW D16B7 neg (1)
Sample type:UW D16B84 neg (1)
Sample type:UW D20B61 neg (2)
Sample type:UW D20B7 neg (2)
Sample type:UW D2B61 neg (2)
Sample type:UW D2B7 neg (2)
Sample type:UW D2B84 neg (1)
Sample type:UW D60B84 neg (1)
Sample type:UW D6B61 neg (1)
Sample type:UW D6B7 neg (1)
Sample type:UW D6B84 neg (1)
Sample type:UW D9B61 neg (1)
Sample type:UW D9B7 neg (1)
Sample type:UW D9B84 neg (1)
Sample type:UW N11B61 neg (1)
Sample type:UW N11B84 neg (1)
Sample type:UW N15B61-EIA neg (1)
Sample type:UW N15B61-EIA neg redo (1)
Sample type:UW N15B84 neg (1)
Sample type:UW N18B61 neg (1)
Sample type:UW N18B84 neg (1)
Sample type:UW N22B61 neg (1)
Sample type:UW N22B7 neg (1)
Sample type:UW N22B84 neg (1)
Sample type:UW N29B7 neg (1)
Sample type:UW N4B61 neg (2)
Sample type:UW N4B7 neg (2)
Sample type:UW N4B84 neg (1)
Sample type:UW N4B89 neg (1)
Sample type:UW N8B61 neg (1)
Sample type:UW N8B7 neg (1)
Sample type:UW O11B61-CTL neg (1)
Sample type:UW O11B61-CTL neg redo (1)
Sample type:UW O11B61 neg (1)
Sample type:UW O11B7-CTL neg (1)
Sample type:UW O11B7-CTL neg redo (1)
Sample type:UW O11B7 neg (1)
Sample type:UW O11B84-NO-CEN neg (1)
Sample type:UW O11B84 neg (1)
Sample type:UW O12B61neg (1)
Sample type:UW O13B61 neg (1)
Sample type:UW O13B7 neg (1)
Sample type:UW O14B61-CTL neg redo (1)
Sample type:UW O14B61 CTL neg (1)
Sample type:UW O14B61 neg (1)
Sample type:UW O14B7-CTL neg (1)
Sample type:UW O14B7-CTL neg redo (1)
Sample type:UW O14B7 neg (1)
Sample type:UW O16B7 neg (1)
Sample type:UW O16B84 neg (1)
Sample type:UW O18B61 neg (2)
Sample type:UW O18B7 neg (2)
Sample type:UW O18B84 CTL neg (1)
Sample type:UW O18B84 neg (1)
Sample type:UW O18B84_2 neg (1)
Sample type:UW O19B61 neg (1)
Sample type:UW O19B7 neg (1)
Sample type:UW O19B84 neg (1)
Sample type:UW O20B61 neg (1)
Sample type:UW O20B7 neg (1)
Sample type:UW O20B84 neg (2)
Sample type:UW O21B61 neg (2)
Sample type:UW O21B7 neg (2)
Sample type:UW O21B84 neg (2)
Sample type:UW O23B61 neg (1)
Sample type:UW O23B7 neg (1)
Sample type:UW O23B84 neg (1)
Sample type:UW O24B61 neg (1)
Sample type:UW O24B84 neg (1)
Sample type:UW O25B61 neg (1)
Sample type:UW O25B84 neg (1)
Sample type:UW O2B84 neg (1)
Sample type:UW O3B61 neg (1)
Sample type:UW O3B7 neg (1)
Sample type:UW O3B84 neg (1)
Sample type:UW O4B61 neg (2)
Sample type:UW O4B7 neg (2)
Sample type:UW O4B84 neg (2)
Sample type:UW O5B61 neg (1)
Sample type:UW O5B7 neg (1)
Sample type:UW O5B84 neg (1)
Sample type:UW O6B61 neg (1)
Sample type:UW O6B7 neg (1)
Sample type:UW O6B84 neg (1)
Sample type:UW pooled neg (22)
Sample type:UW pooled neg condition (17)
Sample type:UW pooled pos condition (1)
Sample type:UW pooled with spike neg (3)

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:NEGATIVE MS search m/z tolerance:
Ion adducts(choose at least one)
Negative mode:
 [M-H]- [M+Cl]- [M+HCOO]- [M+OAc]- [M-CH3]- [M-2H]2- [M-3H]3- [M-H-Ser]-
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