Dataset: Thermal Stress Experiment: Untargeted Metabolites

Name: Untargeted metabolomic data collected during a thermal stress experiment using reef building corals collected in Kāne'ohe Bay, O'ahu, Hawai'i.
Published: 2023-01-31
Keywords: oceans

Cite This Dataset

DOI:10.26008/1912/bco-dmo.886427.1

Project:

NSFOCE-BSF: COLLABORATIVE RESEARCH: Elucidating adaptive potential through coral holobiont functional integration (Holobiont Integration)

Co-Principal Investigator:

Hollie Putnam (University of Rhode Island, URI)

Student:

Emma Strand (University of Rhode Island, URI)

BCO-DMO Data Manager:

Karen Soenen (Woods Hole Oceanographic Institution, WHOI BCO-DMO)

Version:

Version Date:

2023-01-31

Restricted:

Validated:

Yes

Current State:

Final no updates expected

Untargeted metabolomic data collected during a thermal stress experiment using reef building corals collected in Kāne'ohe Bay, O'ahu, Hawai'i.

Abstract:

Understanding the response of the coral holobiont to environmental change is crucial to inform conservation efforts. The most pressing problem is “coral bleaching,” usually precipitated by prolonged thermal stress. We used untargeted, polar metabolite profiling to investigate the physiological response of the coral species Montipora capitata and Pocillopora acuta to heat stress. Our goal was to identify diagnostic markers present early in the bleaching response. From the untargeted UHPLC-MS data, a variety of co-regulated dipeptides were found that have the highest differential accumulation in both species. The structures of four dipeptides were determined and showed differential accumulation in symbiotic and aposymbiotic (alga-free) populations of the sea anemone Aiptasia (Exaiptasia pallida), suggesting the deep evolutionary origins of these dipeptides and their involvement in symbiosis. These and other metabolites may be used as diagnostic markers for thermal stress in wild coral.

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Archival Copy

Version Date	Archive	Persistent Identifier (PID)	Date PID Issued
2023-01-31	Marine Biological Laboratory/Woods Hole Oceanographic Institution Library (MBLWHOI DLA)	10.26008/1912/bco-dmo.886427.1	2023-02-01

Methods & Sampling

From the waters of Kāne‘ohe Bay, HI, four colonies of each coral species M. capitata and P. acuta were identified and collected under SAP 2019-60. Each of the four colonies for each species was fragmented into 30 pieces at the Hawaiʻi Institute of Marine Biology, located on Moku o Loʻe in Kāne‘ohe Bay, HI, and hot-glued to labeled plugs. (21N 157 W ; depth 1m).

Metabolite extraction and analysis conducted at Rutgers University.

Coral sampling: Sampling of the nubbins began after the onset of color score divergence between the treatment groups. Three sampling points were selected on 22 May 2019 (T1), 3 June 2019 (T3), and 7 June 2019 (T5) on the basis of reaching maximum treatment temperature, where the coral color score began to diverge by treatment and where the coral color score differences were maximized between treatments within species within the experimental time frame. Coral nubbins were selected for sampling randomly using a random number generator, and color scores were recorded for each nubbin after sampling. Corals were sampled at ~14:30 at each time point by removing them from their treatment, only touching the plastic bases and inserting them into sterile Whirl-Paks that were immediately submerged in liquid nitrogen and transferred to −80°C until metabolite extraction.

Metabolite extraction from coral nubbins: Metabolites were extracted using a protocol optimized for water-soluble polar metabolite analysis on LC-MS. The extraction buffer was a solution of 40:40:20 (methanol:acetonitrile:water) (v/v/v) + 0.1 M formic acid. The extraction buffer was stored at −20°C before usage. Immediately preceding the metabolite extraction, 1 ml of extraction buffer was added to a 2-ml glass Dounce homogenizer that had chilled on ice. Pieces of the −80°C preserved nubbins were then clipped, weighed, and added to the cold extraction buffer in the Dounce and left to incubate for 5 min. The pestle of the Dounce was then used to homogenize the coral tissue until there was a visible accumulation of coral skeleton at the bottom of the Dounce and the homogenate was visibly pigmented. An additional 500-μl aliquot of cold 40:40:20 + 0.1M formic acid extraction buffer was then used to rinse down the sides of the Dounce and pestle. The total 1.5-ml volume was then strained through a sterile 100-μm cell strainer into a 50-ml receptacle. There was a visible amount of skeleton collected in the strainer. The rest of the homogenate was then transferred to a 1.5-ml Eppendorf tube, vortexed for 10 s, and then centrifuged for 10 min at 16,000g at 4°C. After centrifugation, there was a pellet at the bottom of the tube. A final 500-μl aliquot of the homogenate was then pipetted to a second clean Eppendorf tube, to which 44 μl of 15% NH4HCO3 was added to neutralize the acid in the buffer. This was the final extract and was ready to be loaded to instrument vials for analysis.

Cultivation of Aiptasia: The animals were held at 27°C under a 12-hour light/12-hour dark cycle at 25 μmol photons m−2 s−1. All individuals were from the clonal population CC7, which naturally contains the algal symbionts of the Symbiodiniaceae clade A species Symbiodinium linuchae (Sunagawa et al. 2009). CC7 animals were made aposymbiotic as previously described (Xiang et al. 2013). This resulted in the strain CC7-Apo. CC7-Apo animals subsequently exposed to algae of the clonal axenic strain SSB01 (Symbiodiniaceae clade B species Breviolum minutum) (Baumgarten et al. 2015) and cultured under standard conditions. After these anemone strains were created, each strain was continued and propagated though asexual reproduction in long-term culture for >1 year before experimentation. By using long-term, stable anemone cultures, we intended to minimize the effects of the stress on the animals required to generate the CC7-Apo and CC7-SSB01 anemones that were used for metabolomic analysis. Aiptasia were aliquoted individually to the 1.5-ml Eppendorf tubes in 500 μl of artificial seawater, flash-frozen, and stored at −80°C until processing at Rutgers University.

Metabolite extraction from Aiptasia: Metabolites were extracted using a protocol optimized for water-soluble polar metabolite analysis on LCMS. The extraction buffer used was a solution of 40:40:20 (methanol:acetonitrile:water) (v/v/v) + 0.1 M formic acid and was stored at −20°C before usage. CC7-Apo and CC7-SSB01 animals were removed from the artificial seawater storage, and intragroup animals were pooled to produce six replicates, each having an input weight of 25 mg in a 1.5-ml Eppendorf tube. Replicates were kept on dry ice before extraction. A total of 500 μl of extraction buffer was added; then, samples were vortexed for 10 s and transferred to crushed ice to incubate for 10 min. Samples were then centrifuged for 10 min, and the supernatant was transferred to a 1.5-ml Eppendorf tube; the procedure was repeated for a second round of extraction. A total of 1 ml of supernatant was then centrifuged, and a final 500-μl aliquot of the homogenate was pipetted to a clean Eppendorf tube, to which 44 μl of 15% NH4HCO3 was added to neutralize the acid in the buffer. This was the final extract and was ready to be loaded to instrument vials for analysis.

UHPLC conditions: The HILIC separation was performed on a Vanquish Horizon UHPLC system (Thermo Fisher Scientific, Waltham, MA) with XBridge BEH Amide column (150 mm by 2.1 mm, 2.5-μm particle size; Waters, Milford, MA) using a gradient of solvent A [95%:5% H2O:acetonitrile with 20 mM acetic acid and 40 mM ammonium hydroxide (pH 9.4)] and solvent B [20%:80% H2O:acetonitrile with 20 mM acetic acid and 40 mM ammonium hydroxide (pH 9.4)]. The gradient was 0 min, 100% B; 3 min, 100% B; 3.2 min, 90% B; 6.2 min, 90% B; 6.5 min, 80% B; 10.5 min, 80% B; 10.7 min, 70% B; 13.5 min, 70% B; 13.7 min, 45% B; 16 min, 45% B; 16.5 min, 100% B; and 22 min, 100% B. The flow rate was 300 μl/min. The injection volume was 5 μl, and the column temperature was 25°C. The autosampler temperature was set to 4°C, and the injection volume was 5 μl. Full-scan MS: The full-scan MS analysis was performed on a Thermo Fisher Scientific Q Exactive Plus with a HESI source, which was set to a spray voltage of −2.7 kV under negative mode and 3.5 kV under positive mode. The sheath, auxiliary, and sweep gas flow rates were 40, 10, and 2 (arbitrary unit), respectively. The capillary temperature was set to 300°C, and aux gas heater was 360°C. The S-lens radio frequency (RF) level was 45. The m/z scan range was set to 72 to 1000 m/z under both positive and negative ionization mode. The automatic gain control (AGC) target was set to 3e6, and the maximum injection time (IT) was 200 ms. The resolution was set to 70,000.

Parallel reaction monitoring MS: The MS2 spectra generation was performed on a Thermo Fisher Scientific Q Exactive Plus with a HESI source, which was set to a spray voltage of −2.7 kV under negative mode and 3.5 kV under positive mode. The sheath, auxiliary, and sweep gas flow rates were 40, 10, and 2 (arbitrary unit), respectively. The capillary temperature was set to 300°C, and aux gas heater was 360°C. The S-lens RF level was 45. The m/z scan ranges were specified for the four dipeptides and monitored for the full 22-min run time. The AGC target was set to 2 × 105, and the maximum IT was 100 ms. The resolution was set to 17,500. The isolation window was set to 2.0 m/z. Collision energy was set to a stepwise 30, 50, and 80 normalized collision energy (NCE). Our results suggest that a single MS2 spectrum may contain irrelevant m/z signals and the pseudospectrum, generated by correlating multiple MS2 spectra to the MS1-extracted ion chromatogram, is an effective approach to “clean” the MS2 spectrum. The pseudospectra were generated using a modified version of COVINA (Su et al. 2020).

Synthesis of standards: The dipeptide and tripeptide standards were synthesized and purified to 95% purity by GenScript USA (Piscataway, NJ). All standards were shipped at 25°C and stored at −20°C until they were prepared for analysis on the mass spectrometer. Parallel reaction monitoring was used to generate the MS2 spectra for comparison with samples. A total of 12 pmol of each standard was used in the analysis.

Data Processing Description

Metabolite Data analysis: The MS1 data were processed using Maven (Melamud et al. 2010). The compound annotation was based on accurate mass and retention time match to the metabolite standards from the in-house library. The feature detection for untargeted metabolomics was done using Compound Discoverer (Thermo Fisher Scientific, version 3.1). Before the groupwise comparison, the signal intensities were normalized to the sample weight. Significance was determined by the groupwise signal intensity comparison of each metabolite at each time point using a Student’s t test that assumed unequal variance. P values were then adjusted using the Benjamini-Hochberg correction (false discovery rate, <0.05). Of those features with adjusted P < 0.05, the Fisher’s exact test was then applied to determine whether the putative dipeptides were significantly enriched in those features.

Metabolite Data quality: Before running the samples, the LC-MS system was evaluated for performance readiness by running commercially available standard mixtures and in-house standard mixtures to assess the mass accuracy, signal intensities, and the consistency of retention time. All known metabolites in the mixture were detected within 5 parts per million mass accuracy. Process blanks matching the composition of the extraction solvent were used in every sample batch to assess background signals and ensure that there was no carryover from one run to the next. In addition, the sample queue was randomized with respect to species and treatment to eliminate the potential for batch effects.

Data Files

File
untargetted_metabolites.csv (Comma Separated Values (.csv), 28.82 MB) MD5:97c8e9f8ee88c8936d291c6dac42c790 Primary data file for dataset ID 886427

More Information about this dataset

Funding Sources

Funding Source	Award Number
NSF Division of Ocean Sciences	OCE-1756623

Deployments

None available yet

Instruments

Centrifuge

Supplied Name:

Supplied Description:

Instrument Type

Generic Name: Centrifuge

Generic Description:

A machine with a rapidly rotating container that applies centrifugal force to its contents, typically to separate fluids of different densities (e.g., cream from milk) or liquids from solids.

Homogenizer

Supplied Name: 2-ml glass Dounce homogenizer

Supplied Description:

Instrument Type

Generic Name: Homogenizer

Generic Description:

A homogenizer is a piece of laboratory equipment used for the homogenization of various types of material, such as tissue, plant, food, soil, and many others.

Mass Spectrometer

Supplied Name: Liquid chromatography mass spectrometer

Supplied Description:

Instrument Type

Generic Name: Mass Spectrometer

Acronym: Mass Spec

Community Identifier: http://vocab.nerc.ac.uk/collection/L05/current/LAB16/

Generic Description:

General term for instruments used to measure the mass-to-charge ratio of ions; generally used to find the composition of a sample by generating a mass spectrum representing the masses of sample components.

Mass Spectrometer

Supplied Name: Thermo Fisher Scientific Q Exactive Plus

Supplied Description:

Instrument Type

Generic Name: Mass Spectrometer

Acronym: Mass Spec

Community Identifier: http://vocab.nerc.ac.uk/collection/L05/current/LAB16/

Generic Description:

Ultra high-performance liquid chromatography

Supplied Name: anquish Horizon UHPLC system (Thermo Fisher Scientific, Waltham, MA)

Supplied Description:

Instrument Type

Generic Name: Ultra high-performance liquid chromatography

Acronym: UHPLC

Generic Description:

Ultra high-performance liquid chromatography: Column chromatography where the mobile phase is a liquid, the stationary phase consists of very small (< 2 microm) particles and the inlet pressure is relatively high.

Parameters

Date and time formats are described in python strftime() syntax.

Supplied Name	Supplied description	Supplied Units	Standard Name
Ionization	The target group (M. capitata, Aiptasia, or P. acuta) and ionization (positive or negative)	unitless	sample
Number	Ionization groupID	unitless	sample
MolecularWeight	Molecular weight of identified compound	grams per mole	molecular_weight
RT_min	Minimum retention time in minutes	unitless	time_elapsed
Area_Blank1_raw_F73_set1	Ion counts for each metabolite in blank samples (ion count)	ion count	count
Area_Blank2_raw_F74_set1	Ion counts for each metabolite in blank samples (ion count)	ion count	count
Area_Blank3_raw_F75_set1	Ion counts for each metabolite in blank samples (ion count)	ion count	count
Area_1084_T1_A_raw_F5_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1124_T1_A_raw_F7_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1462_T1_A_raw_F26_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1477_T1_A_raw_F28_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1535_T1_A_raw_F29_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1604_T1_A_raw_F36_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1609_T1_A_raw_F37_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1772_T1_A_raw_F46_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2210_T1_A_raw_F54_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2519_T1_A_raw_F59_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2871_T1_A_raw_F66_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1078_T1_H_raw_F4_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1142_T1_H_raw_F8_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1178_T1_H_raw_F10_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1442_T1_H_raw_F24_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1587_T1_H_raw_F34_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1710_T1_H_raw_F38_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2019_T1_H_raw_F49_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2023_T1_H_raw_F50_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2750_T1_H_raw_F64_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2756_T1_H_raw_F65_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2878_T1_H_raw_F68_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2985_T1_H_raw_F69_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1048_T3_A_raw_F1_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1093_T3_A_raw_F6_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1271_T3_A_raw_F15_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1302_T3_A_raw_F17_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1308_T3_A_raw_F19_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1427_T3_A_raw_F23_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1544_T3_A_raw_F30_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1595_T3_A_raw_F35_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1736_T3_A_raw_F43_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2413_T3_A_raw_F58_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2530_T3_A_raw_F60_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2741_T3_A_raw_F63_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2996_T3_A_raw_F70_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1239_T3_H_raw_F12_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1294_T3_H_raw_F16_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1307_T3_H_raw_F18_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1327_T3_H_raw_F20_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1447_T3_H_raw_F25_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1725_T3_H_raw_F40_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1726_T3_H_raw_F41_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1730_T3_H_raw_F42_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2058_T3_H_raw_F51_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2183_T3_H_raw_F53_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2740_T3_H_raw_F62_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2998_T3_H_raw_F71_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1052_T5_A_raw_F2_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1161_T5_A_raw_F9_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1236_T5_A_raw_F11_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1258_T5_A_raw_F13_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1426_T5_A_raw_F22_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1558_T5_A_raw_F31_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1574_T5_A_raw_F33_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1721_T5_A_raw_F39_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1740_T5_A_raw_F44_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2172_T5_A_raw_F52_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2212_T5_A_raw_F55_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2734_T5_A_raw_F61_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2874_T5_A_raw_F67_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1063_T5_H_raw_F3_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1262_T5_H_raw_F14_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1341_T5_H_raw_F21_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1475_T5_H_raw_F27_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1565_T5_H_raw_F32_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1744_T5_H_raw_F45_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1773_T5_H_raw_F47_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2005_T5_H_raw_F48_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2306_T5_H_raw_F56_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2396_T5_H_raw_F57_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2998_T5_H_raw_F72_set1	Set 1, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Ratio_T1_H_T1_A_set1	Set 1, Ratio of ion counts for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	ratio
Ratio_T3_A_T1_A_set1	Set 1, Ratio of ion counts for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	ratio
Ratio_T3_H_T1_H_set1	Set 1, Ratio of ion counts for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	ratio
Ratio_T5_A_T1_A_set1	Set 1, Ratio of ion counts for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	ratio
Ratio_T5_H_T1_H_set1	Set 1, Ratio of ion counts for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	ratio
Ratio_T3_H_T3_A_set1	Set 1, Ratio of ion counts for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	ratio
Ratio_T5_H_T5_A_set1	Set 1, Ratio of ion counts for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	ratio
Log2FoldChange_T1_H_T1_A_set1	Set 1, Log2 fold change for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	log_trans
Log2FoldChange_T3_A_T1_A_set1	Set 1, Log2 fold change for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	log_trans
Log2FoldChange_T3_H_T1_H_set1	Set 1, Log2 fold change for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	log_trans
Log2FoldChange_T5_A_T1_A_set1	Set 1, Log2 fold change for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	log_trans
Log2FoldChange_T5_H_T1_H_set1	Set 1, Log2 fold change for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	log_trans
Log2FoldChange_T3_H_T3_A_set1	Set 1, Log2 fold change for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	log_trans
Log2FoldChange_T5_H_T5_A_set1	Set 1, Log2 fold change for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	log_trans
Pvalue_T1_H_T1_A_set1	Set 1, p-value associated with each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Pvalue_T3_A_T1_A_set1	Set 1, p-value associated with each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Pvalue_T3_H_T1_H_set1	Set 1, p-value associated with each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Pvalue_T5_A_T1_A_set1	Set 1, p-value associated with each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Pvalue_T5_H_T1_H_set1	Set 1, p-value associated with each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Pvalue_T3_H_T3_A_set1	Set 1, p-value associated with each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Pvalue_T5_H_T5_A_set1	Set 1, p-value associated with each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Adj_Pvalue_T1_H_T1_A_set1	Set 1, adjusted p-value associated with each timepoint x treatment interaction (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Adj_Pvalue_T3_A_T1_A_set1	Set 1, adjusted p-value associated with each timepoint x treatment interaction (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Adj_Pvalue_T3_H_T1_H_set1	Set 1, adjusted p-value associated with each timepoint x treatment interaction (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Adj_Pvalue_T5_A_T1_A_set1	Set 1, adjusted p-value associated with each timepoint x treatment interaction (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Adj_Pvalue_T5_H_T1_H_set1	Set 1, adjusted p-value associated with each timepoint x treatment interaction (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Adj_Pvalue_T3_H_T3_A_set1	Set 1, adjusted p-value associated with each timepoint x treatment interaction (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Adj_Pvalue_T5_H_T5_A_set1	Set 1, adjusted p-value associated with each timepoint x treatment interaction (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Area_1115_T1_A_raw_F8_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1181_T1_A_raw_F10_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1299_T1_A_raw_F22_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1310_T1_A_raw_F23_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1319_T1_A_raw_F25_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1415_T1_A_raw_F27_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1632_T1_A_raw_F39_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1637_T1_A_raw_F40_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1651_T1_A_raw_F43_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2081_T1_A_raw_F53_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2540_T1_A_raw_F63_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2978_T1_A_raw_F70_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1090_T1_H_raw_F5_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1196_T1_H_raw_F11_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1216_T1_H_raw_F15_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1425_T1_H_raw_F28_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1481_T1_H_raw_F30_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1702_T1_H_raw_F45_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1751_T1_H_raw_F46_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1999_T1_H_raw_F47_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2022_T1_H_raw_F50_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2409_T1_H_raw_F60_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2511_T1_H_raw_F61_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2866_T1_H_raw_F68_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1044_T3_A_raw_F1_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1212_T3_A_raw_F13_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1213_T3_A_raw_F14_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1230_T3_A_raw_F17_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1297_T3_A_raw_F21_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1482_T3_A_raw_F31_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1638_T3_A_raw_F41_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1676_T3_A_raw_F44_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2010_T3_A_raw_F49_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2864_T3_A_raw_F67_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2872_T3_A_raw_F69_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_3000_T3_A_raw_F72_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1222_T3_H_raw_F16_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1232_T3_H_raw_F18_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1268_T3_H_raw_F19_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1570_T3_H_raw_F32_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1579_T3_H_raw_F33_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1586_T3_H_raw_F36_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1640_T3_H_raw_F42_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2001_T3_H_raw_F48_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2156_T3_H_raw_F54_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2391_T3_H_raw_F58_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2397_T3_H_raw_F59_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2552_T3_H_raw_F64_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1068_T5_A_raw_F3_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1079_T5_A_raw_F4_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1092_T5_A_raw_F6_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1103_T5_A_raw_F7_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1156_T5_A_raw_F9_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1278_T5_A_raw_F20_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1344_T5_A_raw_F26_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1583_T5_A_raw_F35_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2072_T5_A_raw_F51_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2194_T5_A_raw_F56_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2388_T5_A_raw_F57_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2854_T5_A_raw_F65_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1060_T5_H_raw_F2_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1208_T5_H_raw_F12_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1317_T5_H_raw_F24_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1454_T5_H_raw_F29_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1580_T5_H_raw_F34_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1599_T5_H_raw_F37_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_1605_T5_H_raw_F38_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2076_T5_H_raw_F52_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2169_T5_H_raw_F55_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2528_T5_H_raw_F62_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2855_T5_H_raw_F66_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_2995_T5_H_raw_F71_set2	Set 2, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Ratio_T1_H_T1_A_set2	Set 2, Ratio of ion counts for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	ratio
Ratio_T3_A_T1_A_set2	Set 2, Ratio of ion counts for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	ratio
Ratio_T3_H_T1_H_set2	Set 2, Ratio of ion counts for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	ratio
Ratio_T5_A_T1_A_set2	Set 2, Ratio of ion counts for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	ratio
Ratio_T5_H_T1_H_set2	Set 2, Ratio of ion counts for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	ratio
Ratio_T3_H_T3_A_set2	Set 2, Ratio of ion counts for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	ratio
Ratio_T5_H_T5_A_set2	Set 2, Ratio of ion counts for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	ratio
Log2FoldChange_T1_H_T1_A_set2	Set 2, Log2 fold change for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	log_trans
Log2FoldChange_T3_A_T1_A_set2	Set 2, Log2 fold change for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	log_trans
Log2FoldChange_T3_H_T1_H_set2	Set 2, Log2 fold change for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	log_trans
Log2FoldChange_T5_A_T1_A_set2	Set 2, Log2 fold change for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	log_trans
Log2FoldChange_T5_H_T1_H_set2	Set 2, Log2 fold change for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	log_trans
Log2FoldChange_T3_H_T3_A_set2	Set 2, Log2 fold change for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	log_trans
Log2FoldChange_T5_H_T5_A_set2	Set 2, Log2 fold change for each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	log_trans
Pvalue_T1_H_T1_A_set2	Set 2, p-value associated with each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Pvalue_T3_A_T1_A_set2	Set 2, p-value associated with each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Pvalue_T3_H_T1_H_set2	Set 2, p-value associated with each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Pvalue_T5_A_T1_A_set2	Set 2, p-value associated with each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Pvalue_T5_H_T1_H_set2	Set 2, p-value associated with each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Pvalue_T3_H_T3_A_set2	Set 2, p-value associated with each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Pvalue_T5_H_T5_A_set2	Set 2, p-value associated with each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Adj_Pvalue_T1_H_T1_A_set2	Set 2, adjusted p-value associated with each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Adj_Pvalue_T3_A_T1_A_set2	Set 2, adjusted p-value associated with each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Adj_Pvalue_T3_H_T1_H_set2	Set 2, adjusted p-value associated with each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Adj_Pvalue_T5_A_T1_A_set2	Set 2, adjusted p-value associated with each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Adj_Pvalue_T5_H_T1_H_set2	Set 2, adjusted p-value associated with each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Adj_Pvalue_T3_H_T3_A_set2	Set 2, adjusted p-value associated with each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Adj_Pvalue_T5_H_T5_A_set2	Set 2, adjusted p-value associated with each timepoint x treatment interaction: (Timepoint#, Treatment) / (Timepoint#, Treatment)	ion count	p-value
Area_Asymbiotic_1_raw_F1_set3	Set 3, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_Asymbiotic_2_raw_F2_set3	Set 3, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_Asymbiotic_3_raw_F3_set3	Set 3, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_Asymbiotic_4_raw_F4_set3	Set 3, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_Asymbiotic_5_raw_F5_set3	Set 3, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_Asymbiotic_6_raw_F6_set3	Set 3, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_Blank1_raw_F7_set3	Set 3, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_Blank2_raw_F8_set3	Set 3, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_Blank3_raw_F9_set3	Set 3, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_Symbiotic_1_raw_F10_set3	Set 3, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_Symbiotic_2_raw_F11_set3	Set 3, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_Symbiotic_3_raw_F12_set3	Set 3, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_Symbiotic_4_raw_F13_set3	Set 3, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_Symbiotic_5_raw_F14_set3	Set 3, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Area_Symbiotic_6_raw_F15_set3	Set 3, Ion counts for each metabolite in coral samples (ion count): CoralID (one column for each coral individual)	ion count	count
Ratio_Asymbiotic_Symbiotic_set3	Set 3, Ratio of ion counts for each interaction: (Asymbiotic) / (Symbiotic)	ion count	ratio
Log2FoldChange_Asymbiotic_Symbiotic_set3	Set 3, Log2 fold change for each interaction: (Asymbiotic) / (Symbiotic)	ion count	log_trans
Pvalue_Asymbiotic_Symbiotic_set3	Set 3, p-value associated with each interaction: (Asymbiotic) / (Symbiotic)	ion count	p-value
Adj_Pvalue_Asymbiotic_Symbiotic_set3	Set 3, adjusted p-value associated with each interaction: (Asymbiotic) / (Symbiotic)	ion count	p-value

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Dataset: Thermal Stress Experiment: Untargeted Metabolites