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MTBLS408: Lipidomics profiling reveals the role of glycerophospholipid metabolism in psoriasis

Abstract

Psoriasis is a common and chronic inflammatory skin disease complicated by genetic-environmental interactions. Although genomic, transcriptomic and proteomic analyses have been performed to investigate the pathogenesis of psoriasis, the role of metabolites in psoriasis, particularly of lipids, remains unclear. Lipids not only comprise the bulk of the cellular membrane bilayers but also regulate a variety of biological processes, such as cell proliferation, apoptosis, immunity, angiogenesis and inflammation. In this study, an untargeted lipidomics approach was used to study the lipid profiles in psoriasis and identify lipid metabolite signatures for psoriasis through ultra-performance liquid chromatography-quadrupole tandem mass spectrometry. Plasma samples from 90 participants (45 healthy and 45 psoriasis patients) were collected and detected. Statistical analysis was applied to find different features between the disease and control groups. In addition, ELISA was performed to examine differentially-expressed lipids in psoriatic patient plasma. We finally identified several differential expression lipids including LPAs, LysoPCs, PIs, PCs and PAs, among these metabolites, LPAs, LysoPCs and PAs were significantly increased, while PCs and PIs were down-regulated in psoriasis group. We found that elements of the glycerophospholipid metabolism, such as LPAs, LysoPCs, PAs, PIs, and PCs, were significantly altered in the plasma of psoriatic patients. This investigation characterizes the circulating lipids in psoriatic patients and provides novel insights into the pathogenesis of psoriasis.

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 Authors: Cong Peng, Chunwei Zeng, Bo Wen

  Release date: 22-Aug-2017

 Status: Public

Organism(s)

Homo sapiens

  Study Design

EDAM:Lipids

NCIT:Psoriasis

CHMO:ultra-performance liquid chromatography-mass spectrometry

untargeted metabolomics

  Experimental Factors

Run order

Batch

Protocol Description
Sample collection Healthy controls (n=45) and patients with mild or severe psoriasis (n=45) were recruited at the Xiangya Hospital Central South University in accordance with the Declaration of Helsinki. All sample donors provided signed consent forms, which were approved by the Xiangya Hospital Committee of Ethics. Mild and moderate-severe psoriasis patients (defined as having a psoriasis area and severity index (PASI)>10) were recruited from a cohort of patients with new-onset psoriasis who did not require systemic therapy and were therefore only treated topically. None of the patients were on prescribed anti-inflammatory drugs. All samples were obtained prior to the commencement of any treatment. The recruited participants consisted of 90 gender-balanced individuals (45 healthy controls and 20 mild and 25 moderate-severe psoriasis patients). For analysis purposes, the full cohort (n=90) was subdivided into two gender- and disease groups (n=45 each), referred to as the exploratory and validation cohorts (Table 1 of paper associated with this study). After fasting overnight, 10 ml of whole blood was collected from each subject into EDTA tubes. Samples were left standing for 1 h before centrifugation at room temperature for 20 min at 3100 rpm. After centrifugation, plasma samples were collected and immediately stored at -80 °C until use. Psoriasis was judged as severe when it required systemic therapy and according to the PASI, which is an established measurement that quantifies the thickness, redness, scaling, and distribution of psoriasis lesions.
Extraction The collected plasma samples were stored at -80 °C before the experiments. Prior to the analysis, the samples were left to stand for 30 min at -20 °C and then thawed in a refrigerator at 4 °C until no ice was observed in the tubes. Then, 40 μl of plasma was extracted with 120 μl of isopropanol precooled over 2 h at -20°C. The samples were vortex-mixed for 1 min. After 10 min of incubation at room temperature, the samples were stored overnight at -20 °C to improve protein precipitation and then centrifuged at 14,000 g for 20 min. Subsequently, 20 μl of the organic phase was collected and diluted in 180 μl of isopropyl alcohol (IPA)/acetonitrile (ACN)/H2O (2:1:1 v:v:v) and stored at -80 °C until MS analysis. The analytical workflow is summarized in Fig. S-1b in the Supporting Information of the paper associated with this study. For the system conditioning and quality control (QC) process, 10 μl extracts from each of the 90 samples were mixed as the QC samples.
Chromatography Chromatographic separation was carried out using an ACQUITY UPLC CSH C18 column (2.1×100 mm, 1.7 μm, Waters) with a gradient mobile phase consisting of 10 mM ammonium formate with 0.1% formic acid in phase A (ACN:H2O=60:40, v/v) and 10 mM ammonium formate with 0.1% formic acid in phase B (IPA:ACN=90:10, v/v). A flow rate of 0.4 ml/min was used. The initial elution was set at 40% B and was immediately increased by a linear gradient to 43% B for the first 2 min, followed by an increase to 50% B within 0.1 min. Over the next 3.9 min, the gradient was increased to 54% B, and the amount of B was increased to 70% during next 0.1 min. In the final part of the gradient, B was increased to 99% and maintained for 1.9 min. Finally, B was returned to 40% over the next 0.1 min and equilibrated for 1.9 min for the next injection
Mass spectrometry Both positive and negative modes were performed, and the scan range was 50–1,800 Da operated in Centroid MSE mode with an acquisition time of 0.2 s per scan. Nitrogen was used as the collision gas. For the positive ion mode, the capillary and sampling cone voltages were set at 0.25 kV and 40 V, respectively. For the negative ion mode, the capillary and sampling cone voltages were set at 2 kV and 40 V, respectively. The source temperature was set to 120 °C. The desolvation temperature and gas flow were 500 °C and 800 l/h. Leucine enkephalin (MW=555.62) (200 pg/μl in ACN:H2O, 50:50) was applied as a lock mass for accurate mass measurements, and a 0.5 mM sodium formate solution was used for calibration. Furthermore, to evaluate the stability of the LC-MS throughout the acquisition, a QC sample was processed after every 10 samples.
Data transformation The raw files were all imported into Progenesis QI (Waters, Nonlinear Dynamics, USA) software for peak alignment and peaking. Normalized data producted from Progenesis QI were further preprocessed by metaX software[1]. Feature was removed from the rest of the data analysis when it’s detection is less 50% in QC samples or less 20% in experimental samples. Values missing were retained after the previous filtering and were inputed with the k-nearest neighbor method. Then, the Quality Control-Robust LOESS Signal Correction[2] and Combat normalization methods[3] were used to correct signal intensity draft and batch influence. The features with a relative standard deviation >30% in the QC samples were removed[2] after the normalization.

Ref:
[1] Wen B, Mei Z, Zeng C, Liu S. metaX: a flexible and comprehensive software for processing metabolomics data. BMC Bioinformatics. 2017;18:183. doi:10.1186/s12859-017-1579-y.
[2] Dunn WB, Broadhurst D, Begley P, Zelena E, Francis-McIntyre S, Anderson N, et al. Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry. Nat Protoc. 2011;6:1060–83. doi:10.1038/nprot.2011.335.
[3] Chen C, Grennan K, Badner J, Zhang D, Gershon E, Jin L, Liu C. Removing batch effects in analysis of expression microarray data: an evaluation of six batch adjustment methods. PLoS One. 2011;6:e17238. doi:10.1371/journal.pone.0017238.
Metabolite identification Metabolite identification was performed using Progenesis MetaScope (Waters, Nonlinear Dynamics, USA) and determined on accurate mass values, isotope abundance, and MS/MS fragmentation patterns. Accurate mass values within a narrow mass error (10 ppm) were used to search for tentative identifications in the Human Metabolome database (http://www.hmdb.ca/) and LipidMaps (http://www.lipidmaps.org/). MS/MS fragmentation matching patterns were also evaluated.
Source Name Organism Organism part Protocol REF Sample Name Run order Batch
QC Homo sapiens blood plasma Sample collection 20150707_QC_006_POS 1 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_007_POS 2 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_008_POS 3 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_009_POS 4 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_010_POS 5 1
disease Homo sapiens blood plasma Sample collection MS15006001_POS 6 1
disease Homo sapiens blood plasma Sample collection MS15006031_POS 7 1
healthy Homo sapiens blood plasma Sample collection MS15006091_POS 8 1
disease Homo sapiens blood plasma Sample collection MS15006002_POS 9 1
healthy Homo sapiens blood plasma Sample collection MS15006092_POS 10 1
disease Homo sapiens blood plasma Sample collection MS15006003_POS 11 1
disease Homo sapiens blood plasma Sample collection MS15006033_POS 12 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_011_POS 13 1
healthy Homo sapiens blood plasma Sample collection MS15006093_POS 14 1
disease Homo sapiens blood plasma Sample collection MS15006004_POS 15 1
disease Homo sapiens blood plasma Sample collection MS15006034_POS 16 1
healthy Homo sapiens blood plasma Sample collection MS15006094_POS 17 1
disease Homo sapiens blood plasma Sample collection MS15006005_POS 18 1
disease Homo sapiens blood plasma Sample collection MS15006035_POS 19 1
healthy Homo sapiens blood plasma Sample collection MS15006095_POS 20 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_012_POS 21 1
healthy Homo sapiens blood plasma Sample collection MS15006096_POS 22 1
disease Homo sapiens blood plasma Sample collection MS15006007_POS 23 1
disease Homo sapiens blood plasma Sample collection MS15006037_POS 24 1
healthy Homo sapiens blood plasma Sample collection MS15006097_POS 25 1
disease Homo sapiens blood plasma Sample collection MS15006008_POS 26 1
disease Homo sapiens blood plasma Sample collection MS15006038_POS 27 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_013_POS 28 1
healthy Homo sapiens blood plasma Sample collection MS15006098_POS 29 1
disease Homo sapiens blood plasma Sample collection MS15006009_POS 30 1
disease Homo sapiens blood plasma Sample collection MS15006039_POS 31 1
healthy Homo sapiens blood plasma Sample collection MS15006099_POS 32 1
disease Homo sapiens blood plasma Sample collection MS15006010_POS 33 1
disease Homo sapiens blood plasma Sample collection MS15006040_POS 34 1
healthy Homo sapiens blood plasma Sample collection MS15006100_POS 35 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_014_POS 36 1
disease Homo sapiens blood plasma Sample collection MS15006011_POS 37 1
disease Homo sapiens blood plasma Sample collection MS15006041_POS 38 1
healthy Homo sapiens blood plasma Sample collection MS15006101_POS 39 1
disease Homo sapiens blood plasma Sample collection MS15006012_POS 40 1
disease Homo sapiens blood plasma Sample collection MS15006042_POS 41 1
healthy Homo sapiens blood plasma Sample collection MS15006102_POS 42 1
disease Homo sapiens blood plasma Sample collection MS15006013_POS 43 1
disease Homo sapiens blood plasma Sample collection MS15006043_POS 44 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_015_POS 45 1
healthy Homo sapiens blood plasma Sample collection MS15006103_POS 46 1
disease Homo sapiens blood plasma Sample collection MS15006014_POS 47 1
healthy Homo sapiens blood plasma Sample collection MS15006104_POS 48 1
disease Homo sapiens blood plasma Sample collection MS15006045_POS 49 1
healthy Homo sapiens blood plasma Sample collection MS15006105_POS 50 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_016_POS 51 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_017_POS 52 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_018_POS 53 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_024_POS 54 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_025_POS 55 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_026_POS 56 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_027_POS 57 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_028_POS 58 2
disease Homo sapiens blood plasma Sample collection MS15006016 59 2
healthy Homo sapiens blood plasma Sample collection MS15006076 60 2
healthy Homo sapiens blood plasma Sample collection MS15006106 61 2
disease Homo sapiens blood plasma Sample collection MS15006017 62 2
healthy Homo sapiens blood plasma Sample collection MS15006077 63 2
healthy Homo sapiens blood plasma Sample collection MS15006107 64 2
disease Homo sapiens blood plasma Sample collection MS15006018 65 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_030_POS 66 2
healthy Homo sapiens blood plasma Sample collection MS15006078 67 2
healthy Homo sapiens blood plasma Sample collection MS15006108 68 2
disease Homo sapiens blood plasma Sample collection MS15006049 69 2
healthy Homo sapiens blood plasma Sample collection MS15006079 70 2
healthy Homo sapiens blood plasma Sample collection MS15006109 71 2
disease Homo sapiens blood plasma Sample collection MS15006020 72 2
healthy Homo sapiens blood plasma Sample collection MS15006080 73 2
healthy Homo sapiens blood plasma Sample collection MS15006110 74 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_031_POS 75 2
disease Homo sapiens blood plasma Sample collection MS15006021 76 2
disease Homo sapiens blood plasma Sample collection MS15006051 77 2
healthy Homo sapiens blood plasma Sample collection MS15006081 78 2
healthy Homo sapiens blood plasma Sample collection MS15006111 79 2
healthy Homo sapiens blood plasma Sample collection MS15006082 80 2
healthy Homo sapiens blood plasma Sample collection MS15006112 81 2
disease Homo sapiens blood plasma Sample collection MS15006023 82 2
disease Homo sapiens blood plasma Sample collection MS15006053 83 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_032_POS 84 2
healthy Homo sapiens blood plasma Sample collection MS15006083 85 2
healthy Homo sapiens blood plasma Sample collection MS15006113 86 2
disease Homo sapiens blood plasma Sample collection MS15006024 87 2
disease Homo sapiens blood plasma Sample collection MS15006054 88 2
healthy Homo sapiens blood plasma Sample collection MS15006084 89 2
healthy Homo sapiens blood plasma Sample collection MS15006114 90 2
disease Homo sapiens blood plasma Sample collection MS15006025 91 2
disease Homo sapiens blood plasma Sample collection MS15006055 92 2
healthy Homo sapiens blood plasma Sample collection MS15006085 93 2
healthy Homo sapiens blood plasma Sample collection MS15006115 94 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_033_POS 95 2
disease Homo sapiens blood plasma Sample collection MS15006026 96 2
disease Homo sapiens blood plasma Sample collection MS15006056 97 2
healthy Homo sapiens blood plasma Sample collection MS15006086 98 2
healthy Homo sapiens blood plasma Sample collection MS15006116 99 2
disease Homo sapiens blood plasma Sample collection MS15006057 100 2
healthy Homo sapiens blood plasma Sample collection MS15006087 101 2
healthy Homo sapiens blood plasma Sample collection MS15006117 102 2
disease Homo sapiens blood plasma Sample collection MS15006028 103 2
disease Homo sapiens blood plasma Sample collection MS15006058 104 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_034_POS 105 2
healthy Homo sapiens blood plasma Sample collection MS15006088 106 2
healthy Homo sapiens blood plasma Sample collection MS15006118 107 2
disease Homo sapiens blood plasma Sample collection MS15006029 108 2
healthy Homo sapiens blood plasma Sample collection MS15006089 109 2
healthy Homo sapiens blood plasma Sample collection MS15006119 110 2
disease Homo sapiens blood plasma Sample collection MS15006030 111 2
healthy Homo sapiens blood plasma Sample collection MS15006090 112 2
healthy Homo sapiens blood plasma Sample collection MS15006120 113 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_035_POS 114 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_036_POS 115 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_037_POS 116 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_006_NEG 117 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_007_NEG 118 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_008_NEG 119 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_009_NEG 120 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_010_NEG 121 1
disease Homo sapiens blood plasma Sample collection MS15006001_NEG 122 1
disease Homo sapiens blood plasma Sample collection MS15006031_NEG 123 1
healthy Homo sapiens blood plasma Sample collection MS15006091_NEG 124 1
disease Homo sapiens blood plasma Sample collection MS15006002_NEG 125 1
healthy Homo sapiens blood plasma Sample collection MS15006092_NEG 126 1
disease Homo sapiens blood plasma Sample collection MS15006003_NEG 127 1
disease Homo sapiens blood plasma Sample collection MS15006033_NEG 128 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_011_NEG 129 1
healthy Homo sapiens blood plasma Sample collection MS15006093_NEG 130 1
disease Homo sapiens blood plasma Sample collection MS15006004_NEG 131 1
disease Homo sapiens blood plasma Sample collection MS15006034_NEG 132 1
healthy Homo sapiens blood plasma Sample collection MS15006094_NEG 133 1
disease Homo sapiens blood plasma Sample collection MS15006005_NEG 134 1
disease Homo sapiens blood plasma Sample collection MS15006035_NEG 135 1
healthy Homo sapiens blood plasma Sample collection MS15006095_NEG 136 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_012_NEG 137 1
healthy Homo sapiens blood plasma Sample collection MS15006096_NEG 138 1
disease Homo sapiens blood plasma Sample collection MS15006007_NEG 139 1
disease Homo sapiens blood plasma Sample collection MS15006037_NEG 140 1
healthy Homo sapiens blood plasma Sample collection MS15006097_NEG 141 1
disease Homo sapiens blood plasma Sample collection MS15006008_NEG 142 1
disease Homo sapiens blood plasma Sample collection MS15006038_NEG 143 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_013_NEG 144 1
healthy Homo sapiens blood plasma Sample collection MS15006098_NEG 145 1
disease Homo sapiens blood plasma Sample collection MS15006009_NEG 146 1
disease Homo sapiens blood plasma Sample collection MS15006039_NEG 147 1
healthy Homo sapiens blood plasma Sample collection MS15006099_NEG 148 1
disease Homo sapiens blood plasma Sample collection MS15006010_NEG 149 1
disease Homo sapiens blood plasma Sample collection MS15006040_NEG 150 1
healthy Homo sapiens blood plasma Sample collection MS15006100_NEG 151 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_014_NEG 152 1
disease Homo sapiens blood plasma Sample collection MS15006011_NEG 153 1
disease Homo sapiens blood plasma Sample collection MS15006041_NEG 154 1
healthy Homo sapiens blood plasma Sample collection MS15006101_NEG 155 1
disease Homo sapiens blood plasma Sample collection MS15006012_NEG 156 1
disease Homo sapiens blood plasma Sample collection MS15006042_NEG 157 1
healthy Homo sapiens blood plasma Sample collection MS15006102_NEG 158 1
disease Homo sapiens blood plasma Sample collection MS15006013_NEG 159 1
disease Homo sapiens blood plasma Sample collection MS15006043_NEG 160 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_015_NEG 161 1
healthy Homo sapiens blood plasma Sample collection MS15006103_NEG 162 1
disease Homo sapiens blood plasma Sample collection MS15006014_NEG 163 1
healthy Homo sapiens blood plasma Sample collection MS15006104_NEG 164 1
disease Homo sapiens blood plasma Sample collection MS15006045_NEG 165 1
healthy Homo sapiens blood plasma Sample collection MS15006105_NEG 166 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_016_NEG 167 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_017_NEG 168 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_018_NEG 169 1
QC Homo sapiens blood plasma Sample collection 20150707_QC_019_NEG 170 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_020_NEG 171 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_021_NEG 172 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_022_NEG 173 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_023_NEG 174 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_024_NEG 175 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_027_NEG 176 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_028_NEG 177 2
disease Homo sapiens blood plasma Sample collection MS15006016_NEG 178 2
healthy Homo sapiens blood plasma Sample collection MS15006076_NEG 179 2
healthy Homo sapiens blood plasma Sample collection MS15006106_NEG 180 2
disease Homo sapiens blood plasma Sample collection MS15006017_NEG 181 2
healthy Homo sapiens blood plasma Sample collection MS15006077_NEG 182 2
healthy Homo sapiens blood plasma Sample collection MS15006107_NEG 183 2
disease Homo sapiens blood plasma Sample collection MS15006018_NEG 184 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_030_NEG 185 2
healthy Homo sapiens blood plasma Sample collection MS15006078_NEG 186 2
healthy Homo sapiens blood plasma Sample collection MS15006108_NEG 187 2
disease Homo sapiens blood plasma Sample collection MS15006049_NEG 188 2
healthy Homo sapiens blood plasma Sample collection MS15006079_NEG 189 2
healthy Homo sapiens blood plasma Sample collection MS15006109_NEG 190 2
disease Homo sapiens blood plasma Sample collection MS15006020_NEG 191 2
healthy Homo sapiens blood plasma Sample collection MS15006080_NEG 192 2
healthy Homo sapiens blood plasma Sample collection MS15006110_NEG 193 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_031_NEG 194 2
disease Homo sapiens blood plasma Sample collection MS15006021_NEG 195 2
disease Homo sapiens blood plasma Sample collection MS15006051_NEG 196 2
healthy Homo sapiens blood plasma Sample collection MS15006081_NEG 197 2
healthy Homo sapiens blood plasma Sample collection MS15006111_NEG 198 2
healthy Homo sapiens blood plasma Sample collection MS15006082_NEG 199 2
healthy Homo sapiens blood plasma Sample collection MS15006112_NEG 200 2
disease Homo sapiens blood plasma Sample collection MS15006023_NEG 201 2
disease Homo sapiens blood plasma Sample collection MS15006053_NEG 202 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_032_NEG 203 2
healthy Homo sapiens blood plasma Sample collection MS15006083_NEG 204 2
healthy Homo sapiens blood plasma Sample collection MS15006113_NEG 205 2
disease Homo sapiens blood plasma Sample collection MS15006024_NEG 206 2
disease Homo sapiens blood plasma Sample collection MS15006054_NEG 207 2
healthy Homo sapiens blood plasma Sample collection MS15006084_NEG 208 2
healthy Homo sapiens blood plasma Sample collection MS15006114_NEG 209 2
disease Homo sapiens blood plasma Sample collection MS15006025_NEG 210 2
disease Homo sapiens blood plasma Sample collection MS15006055_NEG 211 2
healthy Homo sapiens blood plasma Sample collection MS15006085_NEG 212 2
healthy Homo sapiens blood plasma Sample collection MS15006115_NEG 213 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_033_NEG 214 2
disease Homo sapiens blood plasma Sample collection MS15006026_NEG 215 2
disease Homo sapiens blood plasma Sample collection MS15006056_NEG 216 2
healthy Homo sapiens blood plasma Sample collection MS15006086_NEG 217 2
healthy Homo sapiens blood plasma Sample collection MS15006116_NEG 218 2
disease Homo sapiens blood plasma Sample collection MS15006057_NEG 219 2
healthy Homo sapiens blood plasma Sample collection MS15006087_NEG 220 2
healthy Homo sapiens blood plasma Sample collection MS15006117_NEG 221 2
disease Homo sapiens blood plasma Sample collection MS15006028_NEG 222 2
disease Homo sapiens blood plasma Sample collection MS15006058_NEG 223 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_034_NEG 224 2
healthy Homo sapiens blood plasma Sample collection MS15006088_NEG 225 2
healthy Homo sapiens blood plasma Sample collection MS15006118_NEG 226 2
disease Homo sapiens blood plasma Sample collection MS15006029_NEG 227 2
healthy Homo sapiens blood plasma Sample collection MS15006089_NEG 228 2
healthy Homo sapiens blood plasma Sample collection MS15006119_NEG 229 2
disease Homo sapiens blood plasma Sample collection MS15006030_NEG 230 2
healthy Homo sapiens blood plasma Sample collection MS15006090_NEG 231 2
healthy Homo sapiens blood plasma Sample collection MS15006120_NEG 232 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_035_NEG 233 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_036_NEG 234 2
QC Homo sapiens blood plasma Sample collection 20150707_QC_037_NEG 235 2

Assay  1

Assay file name: a_neg_psoriasis_metabolite_profiling_mass_spectrometry.txt
Technology: mass spectrometry
Platform: Xevo G2-XS QTOF (Waters)

Instrumentation

Sample Name Protocol REF Post Extraction Derivatization Extract Name Protocol REF Chromatography Instrument Column model Column type Labeled Extract Name Label Protocol REF Scan polarity Scan m/z range Instrument Ion source Mass analyzer MS Assay Name Raw Spectral Data File Protocol REF Normalization Name Derived Spectral Data File Protocol REF Data Transformation Name Metabolite Assignment File
20150707_QC_006_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_006_NEG 20150707_QC_006_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_007_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_007_NEG 20150707_QC_007_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_008_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_008_NEG 20150707_QC_008_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_009_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_009_NEG 20150707_QC_009_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_010_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_010_NEG 20150707_QC_010_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006001_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006001_NEG MS15006001_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006031_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006031_NEG MS15006031_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006091_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006091_NEG MS15006091_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006002_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006002_NEG MS15006002_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006092_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006092_NEG MS15006092_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006003_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006003_NEG MS15006003_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006033_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006033_NEG MS15006033_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_011_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_011_NEG 20150707_QC_011_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006093_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006093_NEG MS15006093_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006004_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006004_NEG MS15006004_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006034_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006034_NEG MS15006034_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006094_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006094_NEG MS15006094_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006005_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006005_NEG MS15006005_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006035_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006035_NEG MS15006035_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006095_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006095_NEG MS15006095_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_012_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_012_NEG 20150707_QC_012_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006096_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006096_NEG MS15006096_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006007_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006007_NEG MS15006007_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006037_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006037_NEG MS15006037_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006097_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006097_NEG MS15006097_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006008_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006008_NEG MS15006008_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006038_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006038_NEG MS15006038_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_013_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_013_NEG 20150707_QC_013_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006098_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006098_NEG MS15006098_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006009_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006009_NEG MS15006009_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006039_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006039_NEG MS15006039_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006099_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006099_NEG MS15006099_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006010_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006010_NEG MS15006010_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006040_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006040_NEG MS15006040_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006100_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006100_NEG MS15006100_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_014_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_014_NEG 20150707_QC_014_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006011_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006011_NEG MS15006011_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006041_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006041_NEG MS15006041_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006101_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006101_NEG MS15006101_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006012_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006012_NEG MS15006012_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006042_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006042_NEG MS15006042_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006102_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006102_NEG MS15006102_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006013_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006013_NEG MS15006013_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006043_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006043_NEG MS15006043_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_015_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_015_NEG 20150707_QC_015_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006103_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006103_NEG MS15006103_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006014_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006014_NEG MS15006014_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006104_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006104_NEG MS15006104_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006045_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006045_NEG MS15006045_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006105_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006105_NEG MS15006105_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_016_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_016_NEG 20150707_QC_016_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_017_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_017_NEG 20150707_QC_017_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_018_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_018_NEG 20150707_QC_018_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_019_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_019_NEG 20150707_QC_019_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_020_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_020_NEG 20150707_QC_020_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_021_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_021_NEG 20150707_QC_021_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_022_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_022_NEG 20150707_QC_022_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_023_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_023_NEG 20150707_QC_023_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_024_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_024_NEG 20150707_QC_024_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_027_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_027_NEG 20150707_QC_027_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_028_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_028_NEG 20150707_QC_028_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006016_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006016_NEG MS15006016_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006076_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006076_NEG MS15006076_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006106_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006106_NEG MS15006106_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006017_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006017_NEG MS15006017_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006077_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006077_NEG MS15006077_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006107_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006107_NEG MS15006107_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006018_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006018_NEG MS15006018_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_030_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_030_NEG 20150707_QC_030_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006078_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006078_NEG MS15006078_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006108_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006108_NEG MS15006108_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006049_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006049_NEG MS15006049_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006079_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006079_NEG MS15006079_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006109_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006109_NEG MS15006109_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006020_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006020_NEG MS15006020_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006080_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006080_NEG MS15006080_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006110_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006110_NEG MS15006110_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_031_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_031_NEG 20150707_QC_031_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006021_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006021_NEG MS15006021_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006051_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006051_NEG MS15006051_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006081_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006081_NEG MS15006081_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006111_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006111_NEG MS15006111_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006082_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006082_NEG MS15006082_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006112_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006112_NEG MS15006112_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006023_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006023_NEG MS15006023_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006053_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006053_NEG MS15006053_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_032_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_032_NEG 20150707_QC_032_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006083_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006083_NEG MS15006083_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006113_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006113_NEG MS15006113_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006024_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006024_NEG MS15006024_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006054_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006054_NEG MS15006054_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006084_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006084_NEG MS15006084_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006114_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006114_NEG MS15006114_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006025_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006025_NEG MS15006025_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006055_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006055_NEG MS15006055_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006085_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006085_NEG MS15006085_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006115_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006115_NEG MS15006115_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_033_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_033_NEG 20150707_QC_033_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006026_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006026_NEG MS15006026_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006056_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006056_NEG MS15006056_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006086_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006086_NEG MS15006086_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006116_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006116_NEG MS15006116_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006057_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006057_NEG MS15006057_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006087_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006087_NEG MS15006087_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006117_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006117_NEG MS15006117_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006028_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006028_NEG MS15006028_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006058_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006058_NEG MS15006058_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_034_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_034_NEG 20150707_QC_034_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006088_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006088_NEG MS15006088_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006118_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006118_NEG MS15006118_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006029_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006029_NEG MS15006029_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006089_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006089_NEG MS15006089_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006119_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006119_NEG MS15006119_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006030_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006030_NEG MS15006030_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006090_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006090_NEG MS15006090_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006120_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006120_NEG MS15006120_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_035_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_035_NEG 20150707_QC_035_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_036_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_036_NEG 20150707_QC_036_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_037_NEG Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry negative 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_037_NEG 20150707_QC_037_NEG.raw Data transformation Metabolite identification m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv

Assay  2

Assay file name: a_pos_psoriasis_metabolite_profiling_mass_spectrometry.txt
Technology: mass spectrometry
Platform: Xevo G2-XS QTOF (Waters)

Instrumentation

Sample Name Protocol REF Post Extraction Derivatization Extract Name Protocol REF Chromatography Instrument Column model Column type Labeled Extract Name Label Protocol REF Scan polarity Scan m/z range Instrument Ion source Mass analyzer MS Assay Name Raw Spectral Data File Protocol REF Normalization Name Derived Spectral Data File Protocol REF Data Transformation Name Metabolite Assignment File
20150707_QC_006_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_006_POS 20150707_QC_006_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_007_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_007_POS 20150707_QC_007_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_008_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_008_POS 20150707_QC_008_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_009_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_009_POS 20150707_QC_009_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_010_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_010_POS 20150707_QC_010_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006001_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006001_POS MS15006001_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006031_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006031_POS MS15006031_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006091_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006091_POS MS15006091_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006002_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006002_POS MS15006002_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006092_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006092_POS MS15006092_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006003_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006003_POS MS15006003_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006033_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006033_POS MS15006033_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_011_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_011_POS 20150707_QC_011_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006093_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006093_POS MS15006093_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006004_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006004_POS MS15006004_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006034_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006034_POS MS15006034_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006094_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006094_POS MS15006094_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006005_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006005_POS MS15006005_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006035_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006035_POS MS15006035_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006095_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006095_POS MS15006095_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_012_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_012_POS 20150707_QC_012_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006096_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006096_POS MS15006096_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006007_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006007_POS MS15006007_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006037_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006037_POS MS15006037_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006097_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006097_POS MS15006097_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006008_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006008_POS MS15006008_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006038_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006038_POS MS15006038_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_013_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_013_POS 20150707_QC_013_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006098_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006098_POS MS15006098_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006009_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006009_POS MS15006009_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006039_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006039_POS MS15006039_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006099_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006099_POS MS15006099_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006010_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006010_POS MS15006010_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006040_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006040_POS MS15006040_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006100_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006100_POS MS15006100_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_014_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_014_POS 20150707_QC_014_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006011_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006011_POS MS15006011_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006041_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006041_POS MS15006041_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006101_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006101_POS MS15006101_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006012_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006012_POS MS15006012_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006042_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006042_POS MS15006042_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006102_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006102_POS MS15006102_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006013_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006013_POS MS15006013_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006043_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006043_POS MS15006043_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_015_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_015_POS 20150707_QC_015_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006103_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006103_POS MS15006103_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006014_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006014_POS MS15006014_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006104_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006104_POS MS15006104_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006045_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006045_POS MS15006045_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006105_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006105_POS MS15006105_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_016_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_016_POS 20150707_QC_016_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_017_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_017_POS 20150707_QC_017_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_018_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_018_POS 20150707_QC_018_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_024_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_024_POS 20150707_QC_024_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_025_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_025_POS 20150707_QC_025_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_026_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_026_POS 20150707_QC_026_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_027_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_027_POS 20150707_QC_027_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_028_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_028_POS 20150707_QC_028_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006016 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006016 MS15006016.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006076 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006076 MS15006076.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006106 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006106 MS15006106.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006017 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006017 MS15006017.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006077 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006077 MS15006077.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006107 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006107 MS15006107.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006018 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006018 MS15006018.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_030_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_030_POS 20150707_QC_030_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006078 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006078 MS15006078.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006108 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006108 MS15006108.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006049 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006049 MS15006049.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006079 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006079 MS15006079.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006109 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006109 MS15006109.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006020 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006020 MS15006020.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006080 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006080 MS15006080.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006110 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006110 MS15006110.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_031_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_031_POS 20150707_QC_031_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006021 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006021 MS15006021.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006051 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006051 MS15006051.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006081 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006081 MS15006081.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006111 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006111 MS15006111.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006082 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006082 MS15006082.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006112 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006112 MS15006112.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006023 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006023 MS15006023.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006053 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006053 MS15006053.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_032_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_032_POS 20150707_QC_032_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006083 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006083 MS15006083.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006113 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006113 MS15006113.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006024 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006024 MS15006024.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006054 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006054 MS15006054.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006084 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006084 MS15006084.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006114 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006114 MS15006114.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006025 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006025 MS15006025.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006055 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006055 MS15006055.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006085 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006085 MS15006085.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006115 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006115 MS15006115.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_033_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_033_POS 20150707_QC_033_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006026 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006026 MS15006026.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006056 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006056 MS15006056.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006086 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006086 MS15006086.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006116 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006116 MS15006116.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006057 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006057 MS15006057.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006087 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006087 MS15006087.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006117 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006117 MS15006117.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006028 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006028 MS15006028.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006058 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006058 MS15006058.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_034_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_034_POS 20150707_QC_034_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006088 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006088 MS15006088.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006118 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006118 MS15006118.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006029 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006029 MS15006029.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006089 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006089 MS15006089.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006119 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006119 MS15006119.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006030 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006030 MS15006030.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006090 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006090 MS15006090.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
MS15006120 Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight MS15006120 MS15006120.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_035_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_035_POS 20150707_QC_035_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_036_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_036_POS 20150707_QC_036_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20150707_QC_037_POS Extraction 120 μl isopropanol none Chromatography Waters ACQUITY UPLC system ACQUITY UPLC CSH C18 (1.7 µm, 2.1 mm x 100 mm; Waters) reverse phase Mass spectrometry positive 50-1800 Waters Xevo G2-XS QTof electrospray ionization quadrupole time-of-flight 20150707_QC_037_POS 20150707_QC_037_POS.raw Data transformation Metabolite identification m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
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audit
MS15006120_NEG.raw
20150707_QC_006_NEG.raw
20150707_QC_007_NEG.raw
20150707_QC_007_POS.raw
20150707_QC_006_POS.raw
metexplore_mapping.json
a_pos_psoriasis_metabolite_profiling_mass_spectrometry.txt
s_psoriasis.txt
a_neg_psoriasis_metabolite_profiling_mass_spectrometry.txt
i_Investigation.txt
20150707_QC_008_NEG.raw
20150707_QC_009_NEG.raw
20150707_QC_008_POS.raw
20150707_QC_011_NEG.raw
20150707_QC_010_POS.raw
20150707_QC_011_POS.raw
20150707_QC_010_NEG.raw
20150707_QC_012_NEG.raw
20150707_QC_009_POS.raw
20150707_QC_012_POS.raw
20150707_QC_013_NEG.raw
20150707_QC_015_POS.raw
20150707_QC_014_NEG.raw
20150707_QC_016_NEG.raw
20150707_QC_015_NEG.raw
20150707_QC_013_POS.raw
20150707_QC_014_POS.raw
20150707_QC_016_POS.raw
20150707_QC_017_NEG.raw
20150707_QC_017_POS.raw
20150707_QC_018_NEG.raw
20150707_QC_020_NEG.raw
20150707_QC_019_NEG.raw
20150707_QC_018_POS.raw
20150707_QC_022_NEG.raw
20150707_QC_021_NEG.raw
20150707_QC_024_NEG.raw
20150707_QC_023_NEG.raw
20150707_QC_024_POS.raw
20150707_QC_025_POS.raw
20150707_QC_026_POS.raw
20150707_QC_027_NEG.raw
20150707_QC_028_NEG.raw
20150707_QC_028_POS.raw
20150707_QC_027_POS.raw
20150707_QC_030_NEG.raw
20150707_QC_032_NEG.raw
20150707_QC_032_POS.raw
20150707_QC_031_NEG.raw
20150707_QC_031_POS.raw
20150707_QC_030_POS.raw
20150707_QC_033_NEG.raw
20150707_QC_034_POS.raw
20150707_QC_034_NEG.raw
20150707_QC_033_POS.raw
20150707_QC_036_NEG.raw
20150707_QC_035_POS.raw
20150707_QC_035_NEG.raw
20150707_QC_036_POS.raw
MS15006001_NEG.raw
20150707_QC_037_POS.raw
20150707_QC_037_NEG.raw
MS15006001_POS.raw
MS15006002_POS.raw
MS15006002_NEG.raw
MS15006003_NEG.raw
MS15006004_POS.raw
MS15006004_NEG.raw
MS15006005_NEG.raw
MS15006003_POS.raw
MS15006005_POS.raw
MS15006007_POS.raw
MS15006008_NEG.raw
MS15006007_NEG.raw
MS15006008_POS.raw
MS15006009_NEG.raw
MS15006009_POS.raw
MS15006010_NEG.raw
MS15006011_NEG.raw
MS15006012_NEG.raw
MS15006010_POS.raw
MS15006012_POS.raw
MS15006011_POS.raw
MS15006013_NEG.raw
MS15006013_POS.raw
MS15006014_POS.raw
MS15006014_NEG.raw
MS15006017_NEG.raw
MS15006016.raw
MS15006016_NEG.raw
MS15006017.raw
MS15006020_NEG.raw
MS15006021_NEG.raw
MS15006018_NEG.raw
MS15006020.raw
MS15006021.raw
MS15006018.raw
MS15006023.raw
MS15006024.raw
MS15006023_NEG.raw
MS15006024_NEG.raw
MS15006025.raw
MS15006025_NEG.raw
MS15006026.raw
MS15006028.raw
MS15006029_NEG.raw
MS15006028_NEG.raw
MS15006029.raw
MS15006026_NEG.raw
MS15006030_NEG.raw
MS15006031_NEG.raw
MS15006031_POS.raw
MS15006030.raw
MS15006033_NEG.raw
MS15006034_NEG.raw
MS15006033_POS.raw
MS15006034_POS.raw
MS15006037_NEG.raw
MS15006035_NEG.raw
MS15006035_POS.raw
MS15006037_POS.raw
MS15006039_POS.raw
MS15006038_POS.raw
MS15006039_NEG.raw
MS15006038_NEG.raw
MS15006042_NEG.raw
MS15006040_POS.raw
MS15006041_NEG.raw
MS15006042_POS.raw
MS15006041_POS.raw
MS15006040_NEG.raw
MS15006043_NEG.raw
MS15006045_NEG.raw
MS15006043_POS.raw
MS15006045_POS.raw
MS15006049.raw
MS15006049_NEG.raw
MS15006051.raw
MS15006053_NEG.raw
MS15006053.raw
MS15006054.raw
MS15006054_NEG.raw
MS15006051_NEG.raw
MS15006055.raw
MS15006057.raw
MS15006055_NEG.raw
MS15006056_NEG.raw
MS15006056.raw
MS15006057_NEG.raw
MS15006058.raw
MS15006058_NEG.raw
MS15006076_NEG.raw
MS15006076.raw
MS15006077.raw
MS15006077_NEG.raw
MS15006078_NEG.raw
MS15006078.raw
MS15006079_NEG.raw
MS15006079.raw
MS15006080.raw
MS15006080_NEG.raw
MS15006082.raw
MS15006082_NEG.raw
MS15006081.raw
MS15006081_NEG.raw
MS15006083.raw
MS15006085_NEG.raw
MS15006084.raw
MS15006083_NEG.raw
MS15006086.raw
MS15006085.raw
MS15006084_NEG.raw
MS15006086_NEG.raw
MS15006088_NEG.raw
MS15006087_NEG.raw
MS15006088.raw
MS15006089.raw
MS15006087.raw
MS15006089_NEG.raw
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MS15006090_NEG.raw
MS15006091_POS.raw
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MS15006119.raw
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MS15006119_NEG.raw
MS15006120.raw
m_pos_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv
m_neg_psoriasis_metabolite_profiling_mass_spectrometry_v2_maf.tsv

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Validations marked with (*) have been allowed by the MetaboLights Curators.
Click here for the detailed description of Validations.
Condition Status Description Requirement Group Message
PASSES Study Title MANDATORY STUDY OK
PASSES Study Description MANDATORY STUDY OK
PASSES Study text successfully parsed OPTIONAL STUDY OK
PASSES Study Contact(s) have listed email MANDATORY CONTACT OK
PASSES Sample(s) MANDATORY SAMPLES OK
PASSES Sample Name consistency check MANDATORY ASSAYS OK
PASSES Publication(s) associated with this Study MANDATORY PUBLICATION OK
PASSES Minimal Experimental protocol MANDATORY PROTOCOLS OK
PASSES Comprehensive Experimental protocol OPTIONAL PROTOCOLS OK
PASSES Extraction protocol description MANDATORY PROTOCOLS OK
PASSES Data transformation protocol description MANDATORY PROTOCOLS OK
PASSES Metabolite Identification protocol description MANDATORY PROTOCOLS OK
PASSES Mass spectrometry protocol description MANDATORY PROTOCOLS OK
PASSES Chromatography protocol description MANDATORY PROTOCOLS OK
PASSES Sample Collection protocol description MANDATORY PROTOCOLS OK
PASSES Protocols text successfully parsed OPTIONAL PROTOCOLS OK
PASSES Organism name MANDATORY ORGANISM OK
PASSES Organism part MANDATORY ORGANISM OK
PASSES Study Factors MANDATORY FACTORS OK
PASSES Assay platform information OPTIONAL ASSAYS OK
PASSES Assay has raw files referenced MANDATORY FILES OK
PASSES Assay referenced raw files detection in filesystem MANDATORY FILES OK
PASSES Raw files in the Assay(s) have the correct format MANDATORY FILES OK
PASSES Assay(s) MANDATORY ASSAYS OK
PASSES All Assays have Metabolite Assignment File (MAF) referenced OPTIONAL FILES OK
PASSES Metabolite Assignment File (MAF) is present in Study folder MANDATORY FILES OK
PASSES Metabolite Assignment File (MAF) has correct format MANDATORY FILES OK
PASSES Metabolite Identification File (MAF) content MANDATORY FILES OK
PASSES ISA-Tab investigation file check MANDATORY ISATAB OK

Pathways - Assay  1



MetExplore Pathways Mapping

Name DB Identifier Mapped Metabolite(s)

Pathways - Assay  2



MetExplore Pathways Mapping

Name DB Identifier Mapped Metabolite(s)