diff --git a/processed_data/0431/0431_info.tsv b/processed_data/0431/0431_info.tsv index cdff10ab2..e321bb43d 100644 --- a/processed_data/0431/0431_info.tsv +++ b/processed_data/0431/0431_info.tsv @@ -1,2 +1,2 @@ -id authors name url -0431 Jian Guo, Tao Huan ROASMI_08 10.1021/acs.analchem.9b05135 +id authors name url source method.type +0431 Jian Guo, Tao Huan ROASMI_08 10.1021/acs.analchem.9b05135 Publication - Guo RP diff --git a/processed_data/0432/0432_info.tsv b/processed_data/0432/0432_info.tsv index a0b5e373e..228300026 100644 --- a/processed_data/0432/0432_info.tsv +++ b/processed_data/0432/0432_info.tsv @@ -1,2 +1,2 @@ -id authors name url -0432 Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner ROASMI_65 10.1016/j.jchromb.2017.07.016. +id authors name url source method.type +0432 Tobias Bruderer, Emmanuel Varesio, Gérard Hopfgartner ROASMI_65 10.1016/j.jchromb.2017.07.016 Publication - Bruderer RP diff --git a/processed_data/0433/0433_info.tsv b/processed_data/0433/0433_info.tsv index a46235d2a..22e1b09ac 100644 --- a/processed_data/0433/0433_info.tsv +++ b/processed_data/0433/0433_info.tsv @@ -1,2 +1,2 @@ -id authors name url comment -0433 Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner ROASMI_66 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid., Submitted by Fangyuan Sun +id authors name url comment source method.type +0433 Tobias Bruderer, Emmanuel Varesio, Gérard Hopfgartner ROASMI_66 10.1016/j.jchromb.2017.07.016 mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid., Submitted by Fangyuan Sun Publication - Bruderer RP diff --git a/processed_data/0434/0434_info.tsv b/processed_data/0434/0434_info.tsv index 458b2d6ba..9335abebf 100644 --- a/processed_data/0434/0434_info.tsv +++ b/processed_data/0434/0434_info.tsv @@ -1,2 +1,2 @@ -id authors name url comment -0434 Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner ROASMI_71 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid, Submitted by Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner +id authors name url comment source method.type +0434 Tobias Bruderer, Emmanuel Varesio, Gérard Hopfgartner ROASMI_71 10.1016/j.jchromb.2017.07.016 mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid, Submitted by Fangyuan Sun Publication - Bruderer RP diff --git a/processed_data/0435/0435_info.tsv b/processed_data/0435/0435_info.tsv index c275cb671..1bb3041e9 100644 --- a/processed_data/0435/0435_info.tsv +++ b/processed_data/0435/0435_info.tsv @@ -1,2 +1,2 @@ -id authors name url comment -0435 Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner ROASMI_77 10.1016/j.jchromb.2017.07.016. Mobile A was 5 mM ammonium acetate in water with an adjusted pH of 8.0 by the addition of ammonium hydroxide., Submitted by Fangyuan Sun +id authors name url comment source method.type +0435 Tobias Bruderer, Emmanuel Varesio, Gérard Hopfgartner ROASMI_77 10.1016/j.jchromb.2017.07.016 Mobile A was 5 mM ammonium acetate in water with an adjusted pH of 8.0 by the addition of ammonium hydroxide, Submitted by Fangyuan Sun Publication - Bruderer RP diff --git a/processed_data/0436/0436_info.tsv b/processed_data/0436/0436_info.tsv index 1fe01d574..b79463d1a 100644 --- a/processed_data/0436/0436_info.tsv +++ b/processed_data/0436/0436_info.tsv @@ -1,2 +1,2 @@ -id authors name comment url -0436 Pablo Gago-Ferrero, Anna A. Bletsou, Dimitrios E. Damalas, Reza Aalizadeh, Nikiforos A.Alygizakis, Heinz P.Singer, Juliane Hollender, Nikolaos S. Thomaidis ROASMI_85 flow rate:0.2-0.48, Submitted by Fangyuan Sun 10.1016/j.jhazmat.2019.121712 +id authors name comment url source method.type +0436 Pablo Gago-Ferrero, Anna A. Bletsou, Dimitrios E. Damalas, Reza Aalizadeh, Nikiforos A.Alygizakis, Heinz P.Singer, Juliane Hollender, Nikolaos S. Thomaidis ROASMI_85 flow rate:0.2-0.48, Submitted by Fangyuan Sun 10.1016/j.jhazmat.2019.121712 Publication - Gago-Ferrero RP diff --git a/processed_data/0437/0437_gradient.tsv b/processed_data/0437/0437_gradient.tsv index 40b5980c0..bce3eb585 100644 --- a/processed_data/0437/0437_gradient.tsv +++ b/processed_data/0437/0437_gradient.tsv @@ -1,3 +1,3 @@ t [min] flow rate [ml/min] A [%] B [%] -0 -1 100 0 -100 -1 10 90 +0 100 0 +100 10 90 diff --git a/processed_data/0437/0437_info.tsv b/processed_data/0437/0437_info.tsv index fff0ca58c..bf4c922ae 100644 --- a/processed_data/0437/0437_info.tsv +++ b/processed_data/0437/0437_info.tsv @@ -1,2 +1,2 @@ -id authors name url -0437 L. Mark Hall, Dennis W. Hill, Kelly Bugden, Shannon Cawley, Lowell H. Hall, Ming-Hui Chen, David F. Grant ROASMI_86 10.1021/acs.jcim.7b00496 +id authors name url source method.type +0437 L. Mark Hall, Dennis W. Hill, Kelly Bugden, Shannon Cawley, Lowell H. Hall, Ming-Hui Chen, David F. Grant ROASMI_86 10.1021/acs.jcim.7b00496 Publication - Hall RP diff --git a/processed_data/0437/0437_metadata.tsv b/processed_data/0437/0437_metadata.tsv index 082702dd4..dc9149bfa 100644 --- a/processed_data/0437/0437_metadata.tsv +++ b/processed_data/0437/0437_metadata.tsv @@ -1,2 +1,2 @@ -id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D -0437 Agilent ZORBAX 300 SB-C18 1 150 1 3.5 -1 -1 -0.075 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 10 90 0 0 +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.A.heptafluorobutyric eluent.A.heptafluorobutyric.unit eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.B.heptafluorobutyric eluent.B.heptafluorobutyric.unit eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.C.heptafluorobutyric eluent.C.heptafluorobutyric.unit eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH eluent.D.heptafluorobutyric eluent.D.heptafluorobutyric.unit gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit +0437 Agilent ZORBAX 300 SB-C18 L1 150.0 1.0 3.5 100 0 0 0 0 0 0 0 0 0.0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.01 % 0 0 100 0 0 0 0 0 0 0.0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.01 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 10 90 0 0 % % % % diff --git a/processed_data/0437/0437_metadata.yaml b/processed_data/0437/0437_metadata.yaml index f45a25072..bcaa62759 100644 --- a/processed_data/0437/0437_metadata.yaml +++ b/processed_data/0437/0437_metadata.yaml @@ -1,15 +1,28 @@ id: '0437' column: name: Agilent ZORBAX 300 SB-C18 - usp.code: 1 + usp.code: L1 length: 150 id: 1 particle.size: 3.5 - temperature: -1 - flowrate: -1 - t0: -0.075 eluent: A: - h2o: 100 + heptafluorobutyric: + value: 0.01 + unit: '%' + h2o: + value: 100 + unit: '%' + acn: + value: 0 + unit: '%' B: - acn: 100 + heptafluorobutyric: + value: 0.01 + unit: '%' + h2o: + value: 0 + unit: '%' + acn: + value: 100 + unit: '%' diff --git a/processed_data/studies.tsv b/processed_data/studies.tsv index 1f635c043..fe9f61378 100644 --- a/processed_data/studies.tsv +++ b/processed_data/studies.tsv @@ -426,10 +426,10 @@ id name url pmid source method.type comment missing information authors mail 0428 ROASMI_62 10.3390/metabo9050085 Publication - Codesido RP Submitted by Fangyuan Sun flowrate Codesido, S., Randazzo, G.M., Lehmann, F., González-Ruiz, V., García, A., Xenarios, I., Liechti, R., Bridge, A., Boccard, J., Rudaz, S 0429 ROASMI_84 10.1021/acs.analchem.9b05765 Publication - Bonini RP Submitted by Fangyuan Sun Paolo Bonini, Tobias Kind, Hiroshi Tsugawa, Dinesh Kumar Barupal, Oliver Fiehn 0430 ROASMI_5 10.1016/j.foodchem.2012.08.062 Publication - De Paepe RP Submitted by Fangyuan Sun D. De Paepe, K. Servaes, B. Noten, L. Diels, M. De Loose, B. Van Droogenbroeck, S. Voorspoels -0431 ROASMI_08 10.1021/acs.analchem.9b05135 Jian Guo, Tao Huan -0432 ROASMI_65 10.1016/j.jchromb.2017.07.016. Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner -0433 ROASMI_66 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid., Submitted by Fangyuan Sun Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner -0434 ROASMI_71 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid, Submitted by Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner -0435 ROASMI_77 10.1016/j.jchromb.2017.07.016. Mobile A was 5 mM ammonium acetate in water with an adjusted pH of 8.0 by the addition of ammonium hydroxide., Submitted by Fangyuan Sun Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner -0436 ROASMI_85 10.1016/j.jhazmat.2019.121712 flow rate:0.2-0.48, Submitted by Fangyuan Sun Pablo Gago-Ferrero, Anna A. Bletsou, Dimitrios E. Damalas, Reza Aalizadeh, Nikiforos A.Alygizakis, Heinz P.Singer, Juliane Hollender, Nikolaos S. Thomaidis -0437 ROASMI_86 10.1021/acs.jcim.7b00496 L. Mark Hall, Dennis W. Hill, Kelly Bugden, Shannon Cawley, Lowell H. Hall, Ming-Hui Chen, David F. Grant +0431 ROASMI_08 10.1021/acs.analchem.9b05135 Publication - Guo RP Jian Guo, Tao Huan +0432 ROASMI_65 10.1016/j.jchromb.2017.07.016. Publication - Bruderer RP Tobias Bruderer, Emmanuel Varesio, Gérard Hopfgartner +0433 ROASMI_66 10.1016/j.jchromb.2017.07.016. Publication - Bruderer RP mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid., Submitted by Fangyuan Sun Tobias Bruderer, Emmanuel Varesio, Gérard Hopfgartner +0434 ROASMI_71 10.1016/j.jchromb.2017.07.016. Publication - Bruderer RP mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid, Submitted by Fangyuan Sun Tobias Bruderer, Emmanuel Varesio, Gérard Hopfgartner +0435 ROASMI_77 10.1016/j.jchromb.2017.07.016 Publication - Bruderer RP Mobile A was 5 mM ammonium acetate in water with an adjusted pH of 8.0 by the addition of ammonium hydroxide, Submitted by Fangyuan Sun Tobias Bruderer, Emmanuel Varesio, Gérard Hopfgartner +0436 ROASMI_85 10.1016/j.jhazmat.2019.121712 Publication - Gago-Ferrero RP flow rate:0.2-0.48, Submitted by Fangyuan Sun Pablo Gago-Ferrero, Anna A. Bletsou, Dimitrios E. Damalas, Reza Aalizadeh, Nikiforos A.Alygizakis, Heinz P.Singer, Juliane Hollender, Nikolaos S. Thomaidis +0437 ROASMI_86 10.1021/acs.jcim.7b00496 Publication - Hall RP L. Mark Hall, Dennis W. Hill, Kelly Bugden, Shannon Cawley, Lowell H. Hall, Ming-Hui Chen, David F. Grant diff --git a/raw_data/0431/0431_info.tsv b/raw_data/0431/0431_info.tsv index cdff10ab2..e321bb43d 100644 --- a/raw_data/0431/0431_info.tsv +++ b/raw_data/0431/0431_info.tsv @@ -1,2 +1,2 @@ -id authors name url -0431 Jian Guo, Tao Huan ROASMI_08 10.1021/acs.analchem.9b05135 +id authors name url source method.type +0431 Jian Guo, Tao Huan ROASMI_08 10.1021/acs.analchem.9b05135 Publication - Guo RP diff --git a/raw_data/0432/0432_info.tsv b/raw_data/0432/0432_info.tsv index a0b5e373e..228300026 100644 --- a/raw_data/0432/0432_info.tsv +++ b/raw_data/0432/0432_info.tsv @@ -1,2 +1,2 @@ -id authors name url -0432 Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner ROASMI_65 10.1016/j.jchromb.2017.07.016. +id authors name url source method.type +0432 Tobias Bruderer, Emmanuel Varesio, Gérard Hopfgartner ROASMI_65 10.1016/j.jchromb.2017.07.016 Publication - Bruderer RP diff --git a/raw_data/0433/0433_info.tsv b/raw_data/0433/0433_info.tsv index a46235d2a..22e1b09ac 100644 --- a/raw_data/0433/0433_info.tsv +++ b/raw_data/0433/0433_info.tsv @@ -1,2 +1,2 @@ -id authors name url comment -0433 Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner ROASMI_66 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid., Submitted by Fangyuan Sun +id authors name url comment source method.type +0433 Tobias Bruderer, Emmanuel Varesio, Gérard Hopfgartner ROASMI_66 10.1016/j.jchromb.2017.07.016 mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid., Submitted by Fangyuan Sun Publication - Bruderer RP diff --git a/raw_data/0434/0434_info.tsv b/raw_data/0434/0434_info.tsv index 458b2d6ba..9335abebf 100644 --- a/raw_data/0434/0434_info.tsv +++ b/raw_data/0434/0434_info.tsv @@ -1,2 +1,2 @@ -id authors name url comment -0434 Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner ROASMI_71 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid, Submitted by Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner +id authors name url comment source method.type +0434 Tobias Bruderer, Emmanuel Varesio, Gérard Hopfgartner ROASMI_71 10.1016/j.jchromb.2017.07.016 mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid, Submitted by Fangyuan Sun Publication - Bruderer RP diff --git a/raw_data/0435/0435_info.tsv b/raw_data/0435/0435_info.tsv index c275cb671..1bb3041e9 100644 --- a/raw_data/0435/0435_info.tsv +++ b/raw_data/0435/0435_info.tsv @@ -1,2 +1,2 @@ -id authors name url comment -0435 Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner ROASMI_77 10.1016/j.jchromb.2017.07.016. Mobile A was 5 mM ammonium acetate in water with an adjusted pH of 8.0 by the addition of ammonium hydroxide., Submitted by Fangyuan Sun +id authors name url comment source method.type +0435 Tobias Bruderer, Emmanuel Varesio, Gérard Hopfgartner ROASMI_77 10.1016/j.jchromb.2017.07.016 Mobile A was 5 mM ammonium acetate in water with an adjusted pH of 8.0 by the addition of ammonium hydroxide, Submitted by Fangyuan Sun Publication - Bruderer RP diff --git a/raw_data/0436/0436_info.tsv b/raw_data/0436/0436_info.tsv index 1fe01d574..b79463d1a 100644 --- a/raw_data/0436/0436_info.tsv +++ b/raw_data/0436/0436_info.tsv @@ -1,2 +1,2 @@ -id authors name comment url -0436 Pablo Gago-Ferrero, Anna A. Bletsou, Dimitrios E. Damalas, Reza Aalizadeh, Nikiforos A.Alygizakis, Heinz P.Singer, Juliane Hollender, Nikolaos S. Thomaidis ROASMI_85 flow rate:0.2-0.48, Submitted by Fangyuan Sun 10.1016/j.jhazmat.2019.121712 +id authors name comment url source method.type +0436 Pablo Gago-Ferrero, Anna A. Bletsou, Dimitrios E. Damalas, Reza Aalizadeh, Nikiforos A.Alygizakis, Heinz P.Singer, Juliane Hollender, Nikolaos S. Thomaidis ROASMI_85 flow rate:0.2-0.48, Submitted by Fangyuan Sun 10.1016/j.jhazmat.2019.121712 Publication - Gago-Ferrero RP diff --git a/raw_data/0437/0437_gradient.tsv b/raw_data/0437/0437_gradient.tsv index 40b5980c0..bce3eb585 100644 --- a/raw_data/0437/0437_gradient.tsv +++ b/raw_data/0437/0437_gradient.tsv @@ -1,3 +1,3 @@ t [min] flow rate [ml/min] A [%] B [%] -0 -1 100 0 -100 -1 10 90 +0 100 0 +100 10 90 diff --git a/raw_data/0437/0437_info.tsv b/raw_data/0437/0437_info.tsv index fff0ca58c..bf4c922ae 100644 --- a/raw_data/0437/0437_info.tsv +++ b/raw_data/0437/0437_info.tsv @@ -1,2 +1,2 @@ -id authors name url -0437 L. Mark Hall, Dennis W. Hill, Kelly Bugden, Shannon Cawley, Lowell H. Hall, Ming-Hui Chen, David F. Grant ROASMI_86 10.1021/acs.jcim.7b00496 +id authors name url source method.type +0437 L. Mark Hall, Dennis W. Hill, Kelly Bugden, Shannon Cawley, Lowell H. Hall, Ming-Hui Chen, David F. Grant ROASMI_86 10.1021/acs.jcim.7b00496 Publication - Hall RP diff --git a/raw_data/0437/0437_metadata.tsv b/raw_data/0437/0437_metadata.tsv index 7e3a478e2..d77248016 100644 --- a/raw_data/0437/0437_metadata.tsv +++ b/raw_data/0437/0437_metadata.tsv @@ -1,2 +1,2 @@ id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.A.heptafluorobutyric eluent.A.heptafluorobutyric.unit eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.B.heptafluorobutyric eluent.B.heptafluorobutyric.unit eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.C.heptafluorobutyric eluent.C.heptafluorobutyric.unit eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH eluent.D.heptafluorobutyric eluent.D.heptafluorobutyric.unit gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit -0437 Agilent ZORBAX 300 SB-C18 1 150.0 1.0 3.5 -1.0 -1.0 100 0 0 0 0 0 0 0 0 0.0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.01 % 0 0 100 0 0 0 0 0 0 0.0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.01 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 10 90 0 0 % % % % +0437 Agilent ZORBAX 300 SB-C18 L1 150.0 1.0 3.5 100 0 0 0 0 0 0 0 0 0.0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.01 % 0 0 100 0 0 0 0 0 0 0.0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.01 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100.0 0.0 0 0 10.0 90.0 0 0 % % % % diff --git a/raw_data/0437/0437_metadata.yaml b/raw_data/0437/0437_metadata.yaml index 5a6e2f09c..13a392028 100644 --- a/raw_data/0437/0437_metadata.yaml +++ b/raw_data/0437/0437_metadata.yaml @@ -1,9 +1,7 @@ column: name: Agilent ZORBAX 300 SB-C18 id: 1 - temperature: -1 - flowrate: -1 - usp.code: '1' + usp.code: L1 length: 150 particle.size: '3.5' eluent: diff --git a/raw_data/studies.tsv b/raw_data/studies.tsv index 1f635c043..b5329ef0e 100644 --- a/raw_data/studies.tsv +++ b/raw_data/studies.tsv @@ -426,10 +426,10 @@ id name url pmid source method.type comment missing information authors mail 0428 ROASMI_62 10.3390/metabo9050085 Publication - Codesido RP Submitted by Fangyuan Sun flowrate Codesido, S., Randazzo, G.M., Lehmann, F., González-Ruiz, V., García, A., Xenarios, I., Liechti, R., Bridge, A., Boccard, J., Rudaz, S 0429 ROASMI_84 10.1021/acs.analchem.9b05765 Publication - Bonini RP Submitted by Fangyuan Sun Paolo Bonini, Tobias Kind, Hiroshi Tsugawa, Dinesh Kumar Barupal, Oliver Fiehn 0430 ROASMI_5 10.1016/j.foodchem.2012.08.062 Publication - De Paepe RP Submitted by Fangyuan Sun D. De Paepe, K. Servaes, B. Noten, L. Diels, M. De Loose, B. Van Droogenbroeck, S. Voorspoels -0431 ROASMI_08 10.1021/acs.analchem.9b05135 Jian Guo, Tao Huan -0432 ROASMI_65 10.1016/j.jchromb.2017.07.016. Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner -0433 ROASMI_66 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid., Submitted by Fangyuan Sun Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner -0434 ROASMI_71 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid, Submitted by Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner -0435 ROASMI_77 10.1016/j.jchromb.2017.07.016. Mobile A was 5 mM ammonium acetate in water with an adjusted pH of 8.0 by the addition of ammonium hydroxide., Submitted by Fangyuan Sun Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner -0436 ROASMI_85 10.1016/j.jhazmat.2019.121712 flow rate:0.2-0.48, Submitted by Fangyuan Sun Pablo Gago-Ferrero, Anna A. Bletsou, Dimitrios E. Damalas, Reza Aalizadeh, Nikiforos A.Alygizakis, Heinz P.Singer, Juliane Hollender, Nikolaos S. Thomaidis -0437 ROASMI_86 10.1021/acs.jcim.7b00496 L. Mark Hall, Dennis W. Hill, Kelly Bugden, Shannon Cawley, Lowell H. Hall, Ming-Hui Chen, David F. Grant +0431 ROASMI_08 10.1021/acs.analchem.9b05135 Publication - Guo RP Jian Guo, Tao Huan +0432 ROASMI_65 10.1016/j.jchromb.2017.07.016 Publication - Bruderer RP Tobias Bruderer, Emmanuel Varesio, Gérard Hopfgartner +0433 ROASMI_66 10.1016/j.jchromb.2017.07.016 Publication - Bruderer RP mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid., Submitted by Fangyuan Sun Tobias Bruderer, Emmanuel Varesio, Gérard Hopfgartner +0434 ROASMI_71 10.1016/j.jchromb.2017.07.016 Publication - Bruderer RP mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid, Submitted by Fangyuan Sun Tobias Bruderer, Emmanuel Varesio, Gérard Hopfgartner +0435 ROASMI_77 10.1016/j.jchromb.2017.07.016 Publication - Bruderer RP Mobile A was 5 mM ammonium acetate in water with an adjusted pH of 8.0 by the addition of ammonium hydroxide, Submitted by Fangyuan Sun Tobias Bruderer, Emmanuel Varesio, Gérard Hopfgartner +0436 ROASMI_85 10.1016/j.jhazmat.2019.121712 Publication - Gago-Ferrero RP flow rate:0.2-0.48, Submitted by Fangyuan Sun Pablo Gago-Ferrero, Anna A. Bletsou, Dimitrios E. Damalas, Reza Aalizadeh, Nikiforos A.Alygizakis, Heinz P.Singer, Juliane Hollender, Nikolaos S. Thomaidis +0437 ROASMI_86 10.1021/acs.jcim.7b00496 Publication - Hall RP L. Mark Hall, Dennis W. Hill, Kelly Bugden, Shannon Cawley, Lowell H. Hall, Ming-Hui Chen, David F. Grant