Mercurial > repos > fgiacomoni > bank_inhouse
diff test-data/out_test1.tabular @ 1:52798007c6b2 draft default tip
Master branch Updating - - Fxx
| author | fgiacomoni |
|---|---|
| date | Thu, 24 Jan 2019 10:02:05 -0500 |
| parents | be582bcd6585 |
| children |
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--- a/test-data/out_test1.tabular Thu Oct 04 10:37:14 2018 -0400 +++ b/test-data/out_test1.tabular Thu Jan 24 10:02:05 2019 -0500 @@ -1,4 +1,4 @@ -MASS_Submit DELTA_mass(0.005Da) MASS_Result ENTRY NAME FORMULA MASS PATHWAYS SOURCE MODE TISSUES +MzQuery MzDelta_Query-Bank(0.005Da) MzBank ENTRY NAME FORMULA MASS PATHWAYS SOURCE MODE TISSUES 422.0849114 0.0024114 422.0825 C00689 alpha,alpha'-Trehalose 6-phosphate C12H23O14P 422.0825 NA KEGG NA NA 422.0849114 0.0024114 422.0825 C02591 Sucrose 6-phosphate C12H23O14P 422.0825 NA KEGG NA NA 422.0849114 0.0024114 422.0825 C02995 Maltose 6'-phosphate C12H23O14P 422.0825 NA KEGG NA NA @@ -52,4 +52,4 @@ 535.3181236 0.0036066 535.314517 MJ078446 Neoline; O8,O14-Di-Ac, O1-Me C29H45NO8 535.314517 NA MeJP NA NA 535.3181236 0.0036066 535.314517 MJ078447 Zygadenine; O3-Ac C29H45NO8 535.314517 NA MeJP NA NA 209.987659 0.000604 209.987055 MJ008190 Zinc(II) propanoate C6H10O4Zn 209.987055 NA MeJP NA NA -98.952389 no results found +98.952389 No_match_in_bank NA NA NA NA NA NA NA NA