1. Submitted
  2. In curation
  3. In review
  4. Public
MTBLS423: Untargeted metabolomics identifies a plasma sphingolipid-related signature associated with lifestyle intervention in prepubertal children with obesity

Abstract

OBJECTIVE: Childhood obesity is a strong risk factor for adult obesity and metabolic diseases, including type 2 diabetes and cardiovascular disease. Early lifestyle intervention in children with obesity reduces future disease risk. The objective of this study is to identify metabolic signatures associated with lifestyle intervention in prepubertal children with obesity.
METHODS: Thirty-five prepubertal children (7-10 years) with obesity (BMI>2 standard deviations) were enrolled in the study and participated in a 6-month-long lifestyle intervention program. Physiological and biochemical data and blood samples were collected both at baseline and after the intervention. A liquid chromatography-mass spectrometry (LC-MS)-based metabolomics approach was applied to obtain a comprehensive profiling of plasma samples, identifying 2581 distinct metabolite. Principal component analysis (PCA) was performed to consolidate all features into 8 principal components. Associations between metabolites and physiological and biochemical variables were investigated.
RESULTS: The intervention program significantly decreased mean (95% CI) BMI standard deviation score from 3.56 (3.29-3.84) to 3.11 (2.88-3.34) (P<0.001). PCA identified one component (PC1) significantly altered by the intervention (Bonferroni adjusted P=0.008). A sphingolipid metabolism-related signature was identified as the major contributor to PC1. Sphingolipid metabolites were decreased by the intervention, and included multiple sphingomyelin, ceramide, glycosylsphingosine, and sulfatide species. Changes in several sphingolipid metabolites were associated with intervention-induced improvements in HbA1c levels.
CONCLUSIONS: Decreased circulating sphingolipid-related metabolites were associated with lifestyle intervention in prepubertal children with obesity, and correlated to improvements in HbA1c.

Click to read more

 Authors: Carles Lerin, Oscar Yanes

  Release date: 09-Feb-2018

 Status: Public

Organism(s)

Homo sapiens

  Study Design

lifestyle intervention

EFO:obesity

CHMO:ultra-performance liquid chromatography-mass spectrometry

untargeted metabolites

  Experimental Factors

Lifestyle intervention

Protocol Description
Sample collection Subjects were recruited at the Obesity Unit by the pediatric endocrine physician. At the first visit, parents Signed the informed consent and all relevant clinical and anthropometric data was obtained. Blood sampling and first interview with the nutritionist (with at Least one of the parents present) was performed within the next 10 days (baseline time point).

Subjects had follow-up interviews with the nutritionist 2 weeks and 3 months after the initial interview, to review changes made and set new goals. The 6 month visit, which included blood sampling, was scheduled with the pediatric endocrinologist who gave feed-back to the family on clinical outcomes (6 month time point). Finally, participants came to a followup visit 1 year after the end of the intervention program (18 month time point) when anthropometric data was collected.
Extraction Serum aliquots (25 µl) were thawed at 4 °C. Samples were briefly vortex-mixed and proteins were then precipitated by the addition of 475 µl cold methanol/water (8:1 vol/vol) followed by 3 min of ultrasonication and 10 s of vortex-mixing. Aliquots were subsequently maintained on ice for 10 min. After centrifugation for 10 min (19.000 x g, 4 °C), 100 µl of supernatant were transferred to a LC autosampler vial.
Chromatography Samples were injected in a UHPLC system (1290 Agilent) coupled to a quadrupole time of flight (QTOF) mass spectrometer (6550 Agilent Technologies) operated in positive electrospray ionization (ESI+) mode. Metabolites were separated using HILIC (ACQUITY UPLC BEH 1.7 µm, Waters) chromatography at a flow rate of 0.4 ml/min. The solvent system was A=50mM NH4OAc in water, and B=ACN. The linear gradient elution started at 95% B (time 0-2 min) and finished at 55% B (6min). The injection volume was 2 µl.
Mass spectrometry The QTOF mass spectrometer (6550 Agilent Technologies) ESI conditions were gas temperature, 225 °C; drying gas, 13 l/min; nebulizer, 20 psig; fragmentor, 125V; and skimmer, 65V. The instrument was set to acquire over the m/z range 80-1200 with an acquisition rate of 4 spectra/s.
Data transformation Data tranformation was performed using Proteowizard.
Metabolite identification Metabolite identification was performed using HMDB.
Source Name Organism Organism part Protocol REF Sample Name
P2638_HILIC_1t0 Homo sapiens blood serum Sample collection P2638_HILIC_1t0
P2638_HILIC_3t0 Homo sapiens blood serum Sample collection P2638_HILIC_3t0
P2638_HILIC_4t0 Homo sapiens blood serum Sample collection P2638_HILIC_4t0
P2638_HILIC_5t0 Homo sapiens blood serum Sample collection P2638_HILIC_5t0
P2638_HILIC_8t0 Homo sapiens blood serum Sample collection P2638_HILIC_8t0
P2638_HILIC_9t0 Homo sapiens blood serum Sample collection P2638_HILIC_9t0
P2638_HILIC_11t0 Homo sapiens blood serum Sample collection P2638_HILIC_11t0
P2638_HILIC_12t0 Homo sapiens blood serum Sample collection P2638_HILIC_12t0
P2638_HILIC_13t0 Homo sapiens blood serum Sample collection P2638_HILIC_13t0
P2638_HILIC_14t0 Homo sapiens blood serum Sample collection P2638_HILIC_14t0
P2638_HILIC_15t0 Homo sapiens blood serum Sample collection P2638_HILIC_15t0
P2638_HILIC_16t0 Homo sapiens blood serum Sample collection P2638_HILIC_16t0
P2638_HILIC_17t0 Homo sapiens blood serum Sample collection P2638_HILIC_17t0
P2638_HILIC_18t0 Homo sapiens blood serum Sample collection P2638_HILIC_18t0
P2638_HILIC_23t0 Homo sapiens blood serum Sample collection P2638_HILIC_23t0
P2638_HILIC_24t0 Homo sapiens blood serum Sample collection P2638_HILIC_24t0
P2638_HILIC_26t0 Homo sapiens blood serum Sample collection P2638_HILIC_26t0
P2638_HILIC_27t0 Homo sapiens blood serum Sample collection P2638_HILIC_27t0
P2638_HILIC_28t0 Homo sapiens blood serum Sample collection P2638_HILIC_28t0
P2638_HILIC_29t0 Homo sapiens blood serum Sample collection P2638_HILIC_29t0
P2638_HILIC_30t0 Homo sapiens blood serum Sample collection P2638_HILIC_30t0
P2638_HILIC_31t0 Homo sapiens blood serum Sample collection P2638_HILIC_31t0
P2638_HILIC_32t0 Homo sapiens blood serum Sample collection P2638_HILIC_32t0
P2638_HILIC_34t0 Homo sapiens blood serum Sample collection P2638_HILIC_34t0
P2638_HILIC_36t0 Homo sapiens blood serum Sample collection P2638_HILIC_36t0
P2638_HILIC_39t0 Homo sapiens blood serum Sample collection P2638_HILIC_39t0
P2638_HILIC_40t0 Homo sapiens blood serum Sample collection P2638_HILIC_40t0
P2638_HILIC_41t0 Homo sapiens blood serum Sample collection P2638_HILIC_41t0
P2638_HILIC_42t0 Homo sapiens blood serum Sample collection P2638_HILIC_42t0
P2638_HILIC_44t0 Homo sapiens blood serum Sample collection P2638_HILIC_44t0
P2638_HILIC_45t0 Homo sapiens blood serum Sample collection P2638_HILIC_45t0
P2638_HILIC_47t0 Homo sapiens blood serum Sample collection P2638_HILIC_47t0
P2638_HILIC_48t0 Homo sapiens blood serum Sample collection P2638_HILIC_48t0
P2638_HILIC_52t0 Homo sapiens blood serum Sample collection P2638_HILIC_52t0
P2638_HILIC_53t0 Homo sapiens blood serum Sample collection P2638_HILIC_53t0
P2638_HILIC_1t6 Homo sapiens blood serum Sample collection P2638_HILIC_1t6
P2638_HILIC_3t6 Homo sapiens blood serum Sample collection P2638_HILIC_3t6
P2638_HILIC_4t6 Homo sapiens blood serum Sample collection P2638_HILIC_4t6
P2638_HILIC_5t6 Homo sapiens blood serum Sample collection P2638_HILIC_5t6
P2638_HILIC_8t6 Homo sapiens blood serum Sample collection P2638_HILIC_8t6
P2638_HILIC_9t6 Homo sapiens blood serum Sample collection P2638_HILIC_9t6
P2638_HILIC_11t6 Homo sapiens blood serum Sample collection P2638_HILIC_11t6
P2638_HILIC_12t6 Homo sapiens blood serum Sample collection P2638_HILIC_12t6
P2638_HILIC_13t6 Homo sapiens blood serum Sample collection P2638_HILIC_13t6
P2638_HILIC_14t6 Homo sapiens blood serum Sample collection P2638_HILIC_14t6
P2638_HILIC_15t6 Homo sapiens blood serum Sample collection P2638_HILIC_15t6
P2638_HILIC_16t6 Homo sapiens blood serum Sample collection P2638_HILIC_16t6
P2638_HILIC_17t6 Homo sapiens blood serum Sample collection P2638_HILIC_17t6
P2638_HILIC_18t6 Homo sapiens blood serum Sample collection P2638_HILIC_18t6
P2638_HILIC_23t6 Homo sapiens blood serum Sample collection P2638_HILIC_23t6
P2638_HILIC_24t6 Homo sapiens blood serum Sample collection P2638_HILIC_24t6
P2638_HILIC_26t6 Homo sapiens blood serum Sample collection P2638_HILIC_26t6
P2638_HILIC_27t6 Homo sapiens blood serum Sample collection P2638_HILIC_27t6
P2638_HILIC_28t6 Homo sapiens blood serum Sample collection P2638_HILIC_28t6
P2638_HILIC_29t6 Homo sapiens blood serum Sample collection P2638_HILIC_29t6
P2638_HILIC_30t6 Homo sapiens blood serum Sample collection P2638_HILIC_30t6
P2638_HILIC_31t6 Homo sapiens blood serum Sample collection P2638_HILIC_31t6
P2638_HILIC_32t6 Homo sapiens blood serum Sample collection P2638_HILIC_32t6
P2638_HILIC_34t6 Homo sapiens blood serum Sample collection P2638_HILIC_34t6
P2638_HILIC_36t6 Homo sapiens blood serum Sample collection P2638_HILIC_36t6
P2638_HILIC_39t6 Homo sapiens blood serum Sample collection P2638_HILIC_39t6
P2638_HILIC_40t6 Homo sapiens blood serum Sample collection P2638_HILIC_40t6
P2638_HILIC_41t6 Homo sapiens blood serum Sample collection P2638_HILIC_41t6
P2638_HILIC_42t6 Homo sapiens blood serum Sample collection P2638_HILIC_42t6
P2638_HILIC_44t6 Homo sapiens blood serum Sample collection P2638_HILIC_44t6
P2638_HILIC_45t6 Homo sapiens blood serum Sample collection P2638_HILIC_45t6
P2638_HILIC_47t6 Homo sapiens blood serum Sample collection P2638_HILIC_47t6
P2638_HILIC_48t6 Homo sapiens blood serum Sample collection P2638_HILIC_48t6
P2638_HILIC_52t6 Homo sapiens blood serum Sample collection P2638_HILIC_52t6
P2638_HILIC_53t6 Homo sapiens blood serum Sample collection P2638_HILIC_53t6

Assay 

Assay file name: a_lealwitt_et_al_metabolite_profiling_mass_spectrometry.txt
Measurement: metabolite profiling
Technology: mass spectrometry
Platform: 6540 Q-TOF LC/MS (Agilent)

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
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_1t0 Extraction none Chromatography Agilent 1290 Infinity UHPLC ACQUITY UPLC BEH (1.7 µm; Waters) HILIC Mass spectrometry positive 80-1200 Agilent 6550 iFunnel Q-TOF electrospray ionization quadrupole time-of-flight P2638_HILIC_1t0 P2638_HILIC_1t0.mzXML Data transformation Metabolite identification m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
   Download study (FTP)  |     Download metadata    

Aspera Download Details:

List of study files   Subset

File
P2638_HILIC_12t0.mzXML
P2638_HILIC_11t0.mzXML
a_lealwitt_et_al_metabolite_profiling_mass_spectrometry.txt
P2638_HILIC_14t6.mzXML
P2638_HILIC_12t6.mzXML
P2638_HILIC_17t0.mzXML
P2638_HILIC_15t0.mzXML
P2638_HILIC_13t6.mzXML
P2638_HILIC_16t0.mzXML
P2638_HILIC_18t6.mzXML
P2638_HILIC_17t6.mzXML
P2638_HILIC_18t0.mzXML
P2638_HILIC_11t6.mzXML
i_Investigation.txt
P2638_HILIC_16t6.mzXML
P2638_HILIC_13t0.mzXML
P2638_HILIC_15t6.mzXML
m_lealwitt_et_al_metabolite_profiling_mass_spectrometry_v2_maf.tsv
P2638_HILIC_14t0.mzXML
P2638_HILIC_34t0.mzXML
P2638_HILIC_23t0.mzXML
P2638_HILIC_1t6.mzXML
P2638_HILIC_3t6.mzXML
P2638_HILIC_34t6.mzXML
P2638_HILIC_1t0.mzXML
P2638_HILIC_29t6.mzXML
P2638_HILIC_39t6.mzXML
P2638_HILIC_27t6.mzXML
P2638_HILIC_29t0.mzXML
audit
P2638_HILIC_36t6.mzXML
P2638_HILIC_32t6.mzXML
P2638_HILIC_3t0.mzXML
P2638_HILIC_39t0.mzXML
P2638_HILIC_27t0.mzXML
P2638_HILIC_30t0.mzXML
P2638_HILIC_31t0.mzXML
P2638_HILIC_28t0.mzXML
P2638_HILIC_23t6.mzXML
P2638_HILIC_30t6.mzXML
P2638_HILIC_31t6.mzXML
P2638_HILIC_36t0.mzXML
P2638_HILIC_26t6.mzXML
P2638_HILIC_24t0.mzXML
P2638_HILIC_24t6.mzXML
P2638_HILIC_28t6.mzXML
P2638_HILIC_26t0.mzXML
P2638_HILIC_32t0.mzXML
P2638_HILIC_40t6.mzXML
P2638_HILIC_42t6.mzXML
P2638_HILIC_52t6.mzXML
P2638_HILIC_4t0.mzXML
P2638_HILIC_47t0.mzXML
P2638_HILIC_52t0.mzXML
P2638_HILIC_45t0.mzXML
P2638_HILIC_41t6.mzXML
P2638_HILIC_9t0.mzXML
P2638_HILIC_41t0.mzXML
P2638_HILIC_4t6.mzXML
P2638_HILIC_44t6.mzXML
P2638_HILIC_8t6.mzXML
P2638_HILIC_8t0.mzXML
P2638_HILIC_5t0.mzXML
P2638_HILIC_9t6.mzXML
metexplore_mapping.json
P2638_HILIC_53t6.mzXML
P2638_HILIC_48t6.mzXML
P2638_HILIC_53t0.mzXML
P2638_HILIC_47t6.mzXML
P2638_HILIC_48t0.mzXML
P2638_HILIC_40t0.mzXML
P2638_HILIC_45t6.mzXML
P2638_HILIC_42t0.mzXML
P2638_HILIC_44t0.mzXML
s_LealWitt et al.txt
P2638_HILIC_5t6.mzXML
ISAcreatorMetaboLights.zip

Info:To download a single file, just click on the file name. To download multiple files, use the check boxes and then click "Download selected files" button. Files will be zipped and downloaded to your browser.



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 



MetExplore Pathways Mapping

Name DB Identifier Mapped Metabolite(s)