Summary of Study ST002758

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR001719. The data can be accessed directly via it's Project DOI: 10.21228/M8HF01 This work is supported by NIH grant, U2C- DK119886.

See: https://www.metabolomicsworkbench.org/about/howtocite.php

This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.

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Study IDST002758
Study TitleMetabolic responses of normal rat kidneys to a high salt intake (Plasma)
Study TypeTime-course metabolomics experiment
Study SummaryIn this study, novel methods were developed which allowed continuous (24/7) measurement of arterial blood pressure and renal blood flow in freely moving rats and the intermittent collection of arterial and renal venous blood to estimate kidney metabolic fluxes of O2 and metabolites. Specifically, the study determined the effects of a high salt (HS; 4.0% NaCl) diet upon whole kidney O2 consumption and arterial and renal venous plasma metabolomic profiles of normal Sprague-Dawley rats. A separate group of rats was studied to determine changes in the cortex and outer medulla tissue metabolomic profiles before and following the switch from a 0.4% to 4.0% NaCl diet.
Institute
Medical College of Wisconsin
DepartmentPhysiology
LaboratoryDr. Allen W. Cowley
Last NameCowley
First NameAllen
Address8701 W. Watertown Plank Rd, Milwaukee, WI 53226
Emailcowley@mcw.edu
Phone4149558277
Submit Date2023-06-26
Raw Data AvailableYes
Raw Data File Type(s)mzML
Analysis Type DetailLC-MS
Release Date2023-07-02
Release Version1
Allen Cowley Allen Cowley
https://dx.doi.org/10.21228/M8HF01
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR001719
Project DOI:doi: 10.21228/M8HF01
Project Title:SD Rat Metabolomics in Response to Salt
Project Type:Untargeted Four-Mode Metabolomics
Project Summary:This study analyzed the effects of a high salt (HS; 4.0% NaCl) diet upon the kidney, arterial plasma, and renal venous plasma metabolomic profiles of normal Sprague-Dawley rats.
Institute:Medical College of Wisconsin
Department:Physiology
Laboratory:Dr. Allen W. Cowley
Last Name:Cowley
First Name:Allen
Address:8701 W. Watertown Plank Rd, Milwaukee, WI 53226
Email:cowley@mcw.edu
Phone:414-955-8277
Funding Source:NHLBI
Contributors:Satoshi Shimada, Brian R. Hoffmann, Chun Yang, Theresa Kurth, Andrew S. Greene, Mingyu Liang, Ranjan K. Dash, Allen W. Cowley Jr

Subject:

Subject ID:SU002865
Subject Type:Mammal
Subject Species:Rattus norvegicus
Taxonomy ID:10116
Species Group:Mammals

Factors:

Subject type: Mammal; Subject species: Rattus norvegicus (Factor headings shown in green)

mb_sample_id local_sample_id Treatment Source
SA29023720211007_Cowley3_Plasma_22_73-434-HS14-A_C18posHS14 Artery Plasma
SA29023820211013_Cowley3_Plasma_28_61-429-HS14-A_C18neg_repHS14 Artery Plasma
SA29023920211020_Cowley3_Plasma_2_49-421-HS14-A_HILICpos_repHS14 Artery Plasma
SA29024020211020_Cowley3_Plasma_9_85-463-HS14-A_HILICpos_repHS14 Artery Plasma
SA29024120211020_Cowley3_Plasma_23_73-434-HS14-A_HILICposHS14 Artery Plasma
SA29024220211013_Cowley3_Plasma_28_61-429-HS14-A_C18negHS14 Artery Plasma
SA29024320211020_Cowley3_Plasma_9_85-463-HS14-A_HILICposHS14 Artery Plasma
SA29024420211013_Cowley3_Plasma_27_37-417-HS14-A_C18negHS14 Artery Plasma
SA29024520211013_Cowley3_Plasma_18_49-421-HS14-A_C18negHS14 Artery Plasma
SA29024620211013_Cowley3_Plasma_16_85-463-HS14-A_C18neg_repHS14 Artery Plasma
SA29024720211013_Cowley3_Plasma_18_49-421-HS14-A_C18neg_repHS14 Artery Plasma
SA29024820211013_Cowley3_Plasma_21_73-434-HS14-A_C18negHS14 Artery Plasma
SA29024920211020_Cowley3_Plasma_23_73-434-HS14-A_HILICpos_repHS14 Artery Plasma
SA29025020211013_Cowley3_Plasma_21_73-434-HS14-A_C18neg_repHS14 Artery Plasma
SA29025120211013_Cowley3_Plasma_27_37-417-HS14-A_C18neg_repHS14 Artery Plasma
SA29025220211020_Cowley3_Plasma_27_37-417-HS14-A_HILICposHS14 Artery Plasma
SA29025320211029_Cowley3_Plasma_32_37-417-HS14-A_HILICneg_repHS14 Artery Plasma
SA29025420211029_Cowley3_Plasma_32_37-417-HS14-A_HILICnegHS14 Artery Plasma
SA29025520211029_Cowley3_Plasma_34_73-434-HS14-A_HILICnegHS14 Artery Plasma
SA29025620211029_Cowley3_Plasma_34_73-434-HS14-A_HILICneg_repHS14 Artery Plasma
SA29025720211029_Cowley3_Plasma_39_49-421-HS14-A_HILICneg_repHS14 Artery Plasma
SA29025820211029_Cowley3_Plasma_39_49-421-HS14-A_HILICnegHS14 Artery Plasma
SA29025920211029_Cowley3_Plasma_28_61-429-HS14-A_HILICneg_repHS14 Artery Plasma
SA29026020211029_Cowley3_Plasma_28_61-429-HS14-A_HILICnegHS14 Artery Plasma
SA29026120211020_Cowley3_Plasma_39_61-429-HS14-A_HILICposHS14 Artery Plasma
SA29026220211020_Cowley3_Plasma_27_37-417-HS14-A_HILICpos_repHS14 Artery Plasma
SA29026320211020_Cowley3_Plasma_39_61-429-HS14-A_HILICpos_repHS14 Artery Plasma
SA29026420211029_Cowley3_Plasma_10_85-463-HS14-A_HILICnegHS14 Artery Plasma
SA29026520211029_Cowley3_Plasma_10_85-463-HS14-A_HILICneg_repHS14 Artery Plasma
SA29026620211013_Cowley3_Plasma_16_85-463-HS14-A_C18negHS14 Artery Plasma
SA29026720211020_Cowley3_Plasma_2_49-421-HS14-A_HILICposHS14 Artery Plasma
SA29026820211007_Cowley3_Plasma_29_37-417-HS14-A_C18posHS14 Artery Plasma
SA29026920211007_Cowley3_Plasma_29_37-417_HS14-A_C18pos_repHS14 Artery Plasma
SA29027020211007_Cowley3_Plasma_31_85-463-HS14-A_C18posHS14 Artery Plasma
SA29027120211007_Cowley3_Plasma_31_85-463-HS14-A_C18pos_repHS14 Artery Plasma
SA29027220211007_Cowley3_Plasma_37_49-421-HS14-A_C18pos_repHS14 Artery Plasma
SA29027320211007_Cowley3_Plasma_37_49-421-HS14-A_C18posHS14 Artery Plasma
SA29027420211007_Cowley3_Plasma_28_61-429-HS14-A_C18posHS14 Artery Plasma
SA29027520211007_Cowley3_Plasma_28_61-429-HS14-A_C18pos_repHS14 Artery Plasma
SA29027620211007_Cowley3_Plasma_22_73-434-HS14-A_C18pos_repHS14 Artery Plasma
SA29027720211007_Cowley3_Plasma_20_86-463-HS14-RV_C18posHS14 Vein Plasma
SA29027820211007_Cowley3_Plasma_20_86-463-HS14-RV_C18pos_repHS14 Vein Plasma
SA29027920211007_Cowley3_Plasma_24_50-421-HS14-RV_C18posHS14 Vein Plasma
SA29028020211007_Cowley3_Plasma_11_62-429-HS14-RV_C18pos_repHS14 Vein Plasma
SA29028120211007_Cowley3_Plasma_11_62-429-HS14-RV_C18posHS14 Vein Plasma
SA29028220211020_Cowley3_Plasma_7_74-434-HS14-RV_HILICposHS14 Vein Plasma
SA29028320211007_Cowley3_Plasma_7_38-417-HS14-RV_C18posHS14 Vein Plasma
SA29028420211007_Cowley3_Plasma_7_38-417-HS14-RV_C18pos_repHS14 Vein Plasma
SA29028520211013_Cowley3_Plasma_10_86-463-HS14-RV_C18neg_repHS14 Vein Plasma
SA29028620211013_Cowley3_Plasma_11_38-417-HS14-RV_C18negHS14 Vein Plasma
SA29028720211007_Cowley3_Plasma_24_50-421-HS14-RV_C18pos_repHS14 Vein Plasma
SA29028820211013_Cowley3_Plasma_34_74-434-HS14-RV_C18neg_repHS14 Vein Plasma
SA29028920211013_Cowley3_Plasma_34_74-434-HS14-RV_C18negHS14 Vein Plasma
SA29029020211013_Cowley3_Plasma_31_50-421-HS14-RV_C18negHS14 Vein Plasma
SA29029120211020_Cowley3_Plasma_7_74-434-HS14-RV_HILICpos_repHS14 Vein Plasma
SA29029220211013_Cowley3_Plasma_11_38-417-HS14-RV_C18neg_repHS14 Vein Plasma
SA29029320211013_Cowley3_Plasma_13_62-429-HS14-RV_C18negHS14 Vein Plasma
SA29029420211013_Cowley3_Plasma_13_62-429-HS14-RV_C18neg_repHS14 Vein Plasma
SA29029520211013_Cowley3_Plasma_31_50-421-HS14-RV_C18neg_repHS14 Vein Plasma
SA29029620211020_Cowley3_Plasma_33_38-417-HS14-RV_HILICposHS14 Vein Plasma
SA29029720211029_Cowley3_Plasma_11_62-429-HS14-RV_HILICnegHS14 Vein Plasma
SA29029820211029_Cowley3_Plasma_8_50-421-HS14-RV_HILICneg_repHS14 Vein Plasma
SA29029920211029_Cowley3_Plasma_8_50-421-HS14-RV_HILICnegHS14 Vein Plasma
SA29030020211029_Cowley3_Plasma_11_62-429-HS14-RV_HILICneg_repHS14 Vein Plasma
SA29030120211029_Cowley3_Plasma_16_86-463-HS14-RV_HILICnegHS14 Vein Plasma
SA29030220211029_Cowley3_Plasma_31_38-417-HS14-RV_HILICneg_repHS14 Vein Plasma
SA29030320211029_Cowley3_Plasma_31_38-417-HS14-RV_HILICnegHS14 Vein Plasma
SA29030420211029_Cowley3_Plasma_16_86-463-HS14-RV_HILICneg_repHS14 Vein Plasma
SA29030520211029_Cowley3_Plasma_5_74-434-HS14-RV_HILICneg_repHS14 Vein Plasma
SA29030620211029_Cowley3_Plasma_5_74-434-HS14-RV_HILICnegHS14 Vein Plasma
SA29030720211020_Cowley3_Plasma_25_50-421-HS14-RV_HILICpos_repHS14 Vein Plasma
SA29030820211020_Cowley3_Plasma_25_50-421-HS14-RV_HILICposHS14 Vein Plasma
SA29030920211020_Cowley3_Plasma_22_62-429-HS14-RV_HILICpos_repHS14 Vein Plasma
SA29031020211020_Cowley3_Plasma_30_86-463-HS14-RV_HILICpos_repHS14 Vein Plasma
SA29031120211013_Cowley3_Plasma_10_86-463-HS14-RV_C18negHS14 Vein Plasma
SA29031220211007_Cowley3_Plasma_1_74-434-HS14-RV_C18posHS14 Vein Plasma
SA29031320211007_Cowley3_Plasma_1_74-434-HS14-RV_C18pos_repHS14 Vein Plasma
SA29031420211020_Cowley3_Plasma_33_38-417-HS14-RV_HILICpos_repHS14 Vein Plasma
SA29031520211020_Cowley3_Plasma_22_62-429-HS14-RV_HILICposHS14 Vein Plasma
SA29031620211020_Cowley3_Plasma_30_86-463-HS14-RV_HILICposHS14 Vein Plasma
SA29031720211029_Cowley3_Plasma_24_40-417-HS21-A_HILICneg_repHS21 Artery Plasma
SA29031820211029_Cowley3_Plasma_25_52-421-HS21-A_HILICnegHS21 Artery Plasma
SA29031920211029_Cowley3_Plasma_24_40-417-HS21-A_HILICnegHS21 Artery Plasma
SA29032020211029_Cowley3_Plasma_23_76-434-HS21-A_HILICneg_repHS21 Artery Plasma
SA29032120211029_Cowley3_Plasma_23_76-434-HS21-A_HILICnegHS21 Artery Plasma
SA29032220211029_Cowley3_Plasma_25_52-421-HS21-A_HILICneg_repHS21 Artery Plasma
SA29032320211029_Cowley3_Plasma_26_88-463-HS21-A_HILICnegHS21 Artery Plasma
SA29032420211007_Cowley3_Plasma_30_52-421-HS21-A_C18posHS21 Artery Plasma
SA29032520211007_Cowley3_Plasma_30_52-421-HS21-A_C18pos_repHS21 Artery Plasma
SA29032620211007_Cowley3_Plasma_12_40-417-HS21-A_C18posHS21 Artery Plasma
SA29032720211007_Cowley3_Plasma_10_88-463-HS21-A_C18pos_repHS21 Artery Plasma
SA29032820211007_Cowley3_Plasma_10_88-463-HS21-A_C18posHS21 Artery Plasma
SA29032920211029_Cowley3_Plasma_12_64-429-HS21-A_HILICneg_repHS21 Artery Plasma
SA29033020211029_Cowley3_Plasma_12_64-429-HS21-A_HILICnegHS21 Artery Plasma
SA29033120211013_Cowley3_Plasma_37_52-421-HS21-A_C18neg_repHS21 Artery Plasma
SA29033220211013_Cowley3_Plasma_37_52-421-HS21-A_C18negHS21 Artery Plasma
SA29033320211013_Cowley3_Plasma_39_76-434-HS21-A_C18negHS21 Artery Plasma
SA29033420211013_Cowley3_Plasma_39_76-434-HS21-A_C18neg_repHS21 Artery Plasma
SA29033520211007_Cowley3_Plasma_5_76-434-HS21-A_C18pos_repHS21 Artery Plasma
SA29033620211013_Cowley3_Plasma_32_64-429-HS21-A_C18neg_repHS21 Artery Plasma
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Collection:

Collection ID:CO002858
Collection Summary:Plasma was collected through an arterial and renal venous catheter throughout the study (200 µL of arterial and renal venous blood were sampled at the day 7, 14, and 21). Overnight urine (18 hours) from the day before the blood draw was collected on ice. The kidneys were collected either at 14 days of HS (HS14) or 21 days of HS (HS21). The kidneys of only LS fed SD rats were also collected for comparison. The collected kidneys (n=5 for each group for metabolomics) were dissected to cortex and outer medulla and snap frozen with liquid nitrogen. Plasma, urine and tissue were stored in -80°C until further analysis.
Sample Type:Arterial plasma; Venous plasma
Storage Conditions:-80?

Treatment:

Treatment ID:TR002874
Treatment Summary:Rats (n=7, 10-11 weeks of age) were performed renal blood flow (RBF) probe implantation and femoral arterial catheterization5. Briefly, rats were anesthetized with isoflurane and arterial catheter was inserted. Following an abdominal incision, RBF probe was implanted on left renal artery and the cable was exposed at nape of the neck via the subcutaneous route. In addition to the RBF probe implantation, renal venous catheter was inserted through the femoral vein and placed in the left renal vein and secured to the luminal wall with 10-0 nylon. RBF and BP via arterial line were measured by conscious freely moving rats and recorded on average of every minute for 24 h/day. After 7-10 days of recovery period, 200 µL of arterial and renal venous blood were sampled and that blood was replaced from donor rats before and following 7, 14 and 21 days after the switch in diet from 0.4% (LS) to 4.0% (HS) salt diet (Dyets Inc, Bethlehem, PA). Overnight urine (18 hours) from the day before the blood draw was collected on ice. The kidneys were collected either at 14 days of HS (HS14) or 21 days of HS (HS21). The kidneys of only LS fed SD rats were also collected for comparison. The collected kidneys (n=5 for each group for metabolomics and mRNAseq analysis) were dissected to cortex and outer medulla and snap frozen with liquid nitrogen. Plasma, urine and tissue were stored in -80°C until further analysis.

Sample Preparation:

Sampleprep ID:SP002871
Sampleprep Summary:Plasma/Urine Metabolite Extraction. Metabolites were extracted from 20 µL of plasma and 20 µL of urine from each SD rat in the study according to standard operating procedures in the Mass Spectrometry and Protein Chemistry Service at The Jackson Laboratory34. Metabolites were extracted using 500 µL of an ice cold 2:2:1 methanol:acetonitrile:water (MeOH:ACN:H2O) buffer; the sample was part of the water fraction. Caffeine, 1-napthylamine, and 9-anthracene carboxylic acid were all added at 0.5 ng/ µL in the extraction buffer as internal standards. Each sample was then vortexed for 30 seconds on the highest setting, subject to one minute of mixing with the Tissue Lyser II in pre-chilled cassettes, and then sonicated at 30 Hz for 5 minutes of 30 seconds on 30 seconds off in an ice water bath. Samples were then placed in the -20°C freezer overnight (16 hours) for extraction. Following the extraction, samples were centrifuged at 21,000 x g at 4°C and supernatant from each metabolite extract was equally divided into five 2 mL microcentrifuge tubes. Each sample supernatant was divided into five equal volume aliquots, one for each of the four modes and the rest to create equal representation pools of all samples, one for each mode. Each aliquot was then dried down using a vacuum centrifuge for storage at -80°C until further use. Tissue Metabolite Extraction. Metabolites were extracted from 20 mg of kidney cortex and medulla from each SD rat in the study according to standard operating procedures in the Mass Spectrometry and Protein Chemistry Service at The Jackson Laboratory34 as described for the plasma and urine samples with slight modification. Metabolites were extracted using 1000 µL of an ice cold 2:2:1 methanol:acetonitrile:water (MeOH:ACN:H2O) buffer containing internal standards as above per 20 mg of sample to ensure the extraction equivalents were normalized. Each sample had a 5 mm stainless steel bead added, then were pulverized in extraction buffer for two minutes usingTissue Lyser II. Samples were then placed in the -20°C freezer overnight (16 hours) for extraction and the supernatant was collected as with the urine/plasma samples. Each sample supernatant was divided into five equal volume aliquots, one for each of the four modes and the rest to create equal representation pools of all samples, one for each mode. Each aliquot was then dried down using a vacuum centrifuge for storage at -80°C until further use.

Combined analysis:

Analysis ID AN004475 AN004476 AN004477 AN004478
Analysis type MS MS MS MS
Chromatography type Reversed phase Reversed phase HILIC HILIC
Chromatography system Thermo Vanquish Thermo Vanquish Thermo Vanquish Thermo Vanquish
Column Agilent InfinityLab Poroshell 120 EC-C18 (2.1 x 50 mm; 2.7-Micron) Agilent InfinityLab Poroshell 120 HILIC-Z (2.1 x 50 mm; 2.7 micron; #689775-924) Agilent InfinityLab Poroshell 120 HILIC-Z (2.1 x 50 mm; 2.7 micron; #689775-924) Agilent InfiinityLab Poroshell 120 HILIC-Z (2.1 x 50 mm; 2.7 micron; #689775-924)
MS Type ESI ESI ESI ESI
MS instrument type Orbitrap Orbitrap Orbitrap Orbitrap
MS instrument name Thermo Q Exactive Orbitrap Thermo Q Exactive Orbitrap Thermo Q Exactive Orbitrap Thermo Q Exactive Orbitrap
Ion Mode POSITIVE NEGATIVE POSITIVE NEGATIVE
Units Area Area Area Area

Chromatography:

Chromatography ID:CH003360
Chromatography Summary:This chromatography method was utilized for all C18 positive polarity runs in this study.
Instrument Name:Thermo Vanquish
Column Name:Agilent InfinityLab Poroshell 120 EC-C18 (2.1 x 50 mm; 2.7-Micron)
Column Temperature:25C
Flow Gradient:0-1 minutes at 98% A1/2% B1, 1-13 minutes from 98% A1/2% B1 to 10% A1/90% B1, 13-15 minutes at 10% A1/90% B1, 15-16 minutes from 10% A1/90% B1 to 98% A1/2% B1, and was re-equilibrated from 16-25 minutes at 98% A1/2% B1
Flow Rate:0.1 mL/minute
Internal Standard:Caffeine, 1-napthylamine, and 9-anthracene carboxylic acid were all added at 0.5 ng/ µL in the extraction buffer as internal standards
Solvent A:100% water, 0.2% acetic acid
Solvent B:100% acetonitrile, 0.2% acetic acid
Chromatography Type:Reversed phase
  
Chromatography ID:CH003361
Chromatography Summary:This chromatography method was utilized for all C18 negative polarity runs in this study.
Instrument Name:Thermo Vanquish
Column Name:Agilent InfinityLab Poroshell 120 HILIC-Z (2.1 x 50 mm; 2.7 micron; #689775-924)
Column Temperature:25C
Flow Gradient:0-1 minutes at 2% A/98% B, 1-11 minutes from 2% A/98% B to 30% A/70% B, 11-12 minutes from 30% A/70% B to 40% A/60% B, 12-16 minutes from 40% A/60% B to 95% A/5% B, was held at 95% A/5% B from 16-18 minutes, 18-20 minutes from 95% A/5% B to 2% A/98% B, and was re-equilibrated from 20-25 minutes at 2% A/98% B
Flow Rate:0.1 mL/minute
Internal Standard:Caffeine, 1-napthylamine, and 9-anthracene carboxylic acid were all added at 0.5 ng/ µL in the extraction buffer as internal standards
Solvent A:100% water, 0.2% acetic acid
Solvent B:100% acetonitrile, 0.2% acetic acid
Chromatography Type:Reversed phase
  
Chromatography ID:CH003362
Chromatography Summary:This chromatography method was utilized for all HILIC positive polarity runs in this study.
Instrument Name:Thermo Vanquish
Column Name:Agilent InfinityLab Poroshell 120 HILIC-Z (2.1 x 50 mm; 2.7 micron; #689775-924)
Column Temperature:25C
Flow Gradient:0-1 minutes at 2% A/98% B, 1-11 minutes from 2% A/98% B to 30% A/70% B, 11-12 minutes from 30% A/70% B to 40% A/60% B, 12-16 minutes from 40% A/60% B to 95% A/5% B, was held at 95% A/5% B from 16-18 minutes, 18-20 minutes from 95% A/5% B to 2% A/98% B, and was re-equilibrated from 20-25 minutes at 2% A/98% B
Flow Rate:0.1 mL/minute
Internal Standard:Caffeine, 1-napthylamine, and 9-anthracene carboxylic acid were all added at 0.5 ng/ µL in the extraction buffer as internal standards
Solvent A:10 mM ammonium formate in H2O with 0.1% formic acid (Solvent A2)
Solvent B:90% ACN with 10 mM ammonium formate in H2O with 0.1% formic acid (Solvent B2)
Chromatography Type:HILIC
  
Chromatography ID:CH003363
Chromatography Summary:This chromatography method was utilized for all HILIC negative polarity runs in this study.
Instrument Name:Thermo Vanquish
Column Name:Agilent InfiinityLab Poroshell 120 HILIC-Z (2.1 x 50 mm; 2.7 micron; #689775-924)
Column Temperature:25C
Flow Gradient:0-1 minutes at 2% A/98% B, 1-11 minutes from 2% A/98% B to 30% A/70% B, 11-12 minutes from 30% A/70% B to 40% A/60% B, 12-16 minutes from 40% A/60% B to 95% A/5% B, was held at 95% A/5% B from 16-18 minutes, 18-20 minutes from 95% A/5% B to 2% A/98% B, and was re-equilibrated from 20-25 minutes at 2% A/98% B
Flow Rate:0.1 mL/minute
Internal Standard:Caffeine, 1-napthylamine, and 9-anthracene carboxylic acid were all added at 0.5 ng/ µL in the extraction buffer as internal standards
Solvent A:10 mM ammonium acetate in H2O, pH 9.0 with 0.1% AffinityLab Deactivator Inhibitor (Agilent, #5191-3940; Solvent A3)
Solvent B:85% ACN with 10 mM ammonium acetate in H2O with 0.1% AffinityLab Deactivator Inhibitor (Solvent B3)
Chromatography Type:HILIC

MS:

MS ID:MS004222
Analysis ID:AN004475
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:C18 positive plasma data: The tandem mass spectrometry RAW data files (consisting of MS1 and MS2 spectra collected) were analyzed using Thermo Compound Discoverer (v3.2.0.421). The MS1 and MS2 data was searched against the Thermo mzCloud database, ChemSpider database, Metabolika Pathways, and mzLogic predicted composition in the Compound Discoverer workflow.
Ion Mode:POSITIVE
  
MS ID:MS004223
Analysis ID:AN004476
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:C18 negative plasma data: The tandem mass spectrometry RAW data files (consisting of MS1 and MS2 spectra collected) were analyzed using Thermo Compound Discoverer (v3.2.0.421). The MS1 and MS2 data was searched against the Thermo mzCloud database, ChemSpider database, Metabolika Pathways, and mzLogic predicted composition in the Compound Discoverer workflow.
Ion Mode:NEGATIVE
  
MS ID:MS004224
Analysis ID:AN004477
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:HILIC positive plasma data: The tandem mass spectrometry RAW data files (consisting of MS1 and MS2 spectra collected) were analyzed using Thermo Compound Discoverer (v3.2.0.421). The MS1 and MS2 data was searched against the Thermo mzCloud database, ChemSpider database, Metabolika Pathways, and mzLogic predicted composition in the Compound Discoverer workflow.
Ion Mode:POSITIVE
  
MS ID:MS004225
Analysis ID:AN004478
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:HILIC negative plasma data: The tandem mass spectrometry RAW data files (consisting of MS1 and MS2 spectra collected) were analyzed using Thermo Compound Discoverer (v3.2.0.421). The MS1 and MS2 data was searched against the Thermo mzCloud database, ChemSpider database, Metabolika Pathways, and mzLogic predicted composition in the Compound Discoverer workflow.
Ion Mode:NEGATIVE
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