MTBLS538: 13C metabolomics reveals widespread change in carbon fate during coral bleaching

Abstract

INTRODUCTION: Rising seawater temperatures are threatening the persistence of coral reefs; where above critical thresholds, thermal stress results in a breakdown of the coral-dinoflagellate symbiosis and the loss of algal symbionts (coral bleaching). As symbiont-derived organic products typically form a major portion of host energy budgets, this has major implications for the fitness and persistence of symbiotic corals.
OBJECTIVES: We aimed to determine change in autotrophic carbon fate within individual compounds and downstream metabolic pathways in a coral symbiosis exposed to varying degrees of thermal stress and bleaching.
METHODS: We applied gas chromatography–mass spectrometry coupled to a stable isotope tracer (13C), to track change in autotrophic carbon fate, in symbiont and host individually, following exposure to elevated water temperature.
RESULTS: Thermal stress resulted in partner-specific changes in carbon fate, which progressed with heat stress duration. We detected modifications to carbohydrate and fatty acid metabolism, lipogenesis, and homeostatic responses to thermal, oxidative and osmotic stress. Despite pronounced photodamage, remaining in hospite symbionts continued to produce organic products de novo and translocate to the coral host. However as bleaching progressed, we observed minimal 13C enrichment of symbiont long-chain fatty acids, also reflected in 13C enrichment of host fatty acid pools.
CONCLUSION: These data have major implications for our understanding of coral symbiosis function during bleaching. Our findings suggest that during early stage bleaching, remaining symbionts continue to effectively translocate a variety of organic products to the host, however under prolonged thermal stress there is likely a reduction in the quality of these products.

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 Authors: Katie Hillyer

  Release date: 04-Dec-2018

 Status: Public

Organism(s)

Symbiodinium sp. ex Acropora aspera

Acropora aspera

  Study Design

CHEBI:isotopic tracer

ENVO:coral bleaching process

PLOSTHES:Thermal stresses

MESH:Cnidaria

MESH:Symbiosis

CHMO:gas chromatography-mass spectrometry

GO:photoinhibition

untargeted metabolites

  Experimental Factors

Stress duration

Symbiotic partner

Temperature treatment

Replicate

Stable isotope

Protocol Description
Sample collection Fragment collection and maintenance:
Fragments (a maximum of 8 cm in length) of the coral Acropora aspera (light blue colour morph) were collected from Heron Island reef flat [Great Barrier Reef (GBR), Australia; 23°26′43″S, 151°54′53″E] at low tide under GBR Marine Permit G14/36933.2 between 27 and 29th March 2015, for this and a concurrent study[1]. Fragments (n = 11 per colony) were sampled from branches of 6 replicate colonies (both studies in total amounting to no more than 5% of the donor colony).

Fragments were maintained in 4 x 60 l aquaria with flow-through seawater[1]. Following a 10 day acclimation period, 2 aquaria were heated to 32 ± 0.5 °C, at a rate of 1 °C per day (heat treatment). Heat treatment was maintained for a period of 9 days. 2 control aquaria were left at ambient temperature, averaging 27 ± 1.5 °C (ambient).

Daily measurements of maximum (dark-adapted) yields of photosystem II (PS II) were taken to give an indication of symbiont photosystem health. Maximum yields were taken using pulse amplitude modulation fluorometry (Diving-PAM, Walz, Effeltrich, Germany) 30 min after last light. Presented values are based on means of triplicate measurements taken from each colony representative (n = 6, 1 per colony, per treatment) designated for PAM sampling as previously reported[1], with additional data up to 9 days.

Stable isotope (13C) incubations:
Incubations were initiated on 6 and 9 days (post heatramp). At each sampling point, 6 coral fragments (1 representative per colony) per treatment were incubated in the ambient light (with shade cloth) in individual specimen jars. Jars were placed in water baths at the relevant temperatures (either at a typical ambient temperature of 26 ± 0.5 °C, or at 32 ± 0.5 °C).

Each jar contained 220 ml of 4 mM H13CO3- or H12CO3-enriched FSW (0.22 μM) representing a bicarbonate enrichment of approximately 66%[2]. Seawater pH was buffered to that of the flow-through system (ca. 8.34–8.52, high water to low water). Incubations were for 4 h from the start of the natural light-cycle, with the beakers left open and regularly stirred (about every hour) to minimize reuse of respired 13CO2. Following the incubation period, samples were immediately snap-frozen in liquid nitrogen and transferred to a -80 °C freezer. An additional 4 h incubation (n = 6, one fragment per colony) was carried out in the dark to confirm that label was not significantly incorporated by non-photosynthetic activities.

Coral fragment processing:
All sample processing was undertaken at 4 °C in order to minimize any post-sampling metabolism following the methods previously reported[1]. Briefly, coral fragments were first defrosted on ice and tissue removed via airbrush into 50 ml of chilled MilliQ ultrapure water at 4 °C. The tissue suspensions were then homogenized with a saw-tooth homogenizer (Ystral D-79282, Ballrechten-Dottingen, Germany) for 10 s at a mid-speed setting. >/p> Samples were vortexed for 30 s and 3 x 1 ml aliquots were removed from the whole homogenate in order to quantify bleaching (Symbiodinium cell counts and photosynthetic pigment) and genotyping of the dominant Symbiodinium ITS 2 type (C3 as previously reported[1]). The remaining tissue homogenate was repeatedly washed and centrifuged (2500 x g for 5 min at 4 °C) to separate Symbiodinium cells from host material and to purify each fraction. The resulting supernatant and pellet, comprising the purified host and symbiont material respectively, were then immediately frozen at -80 °C and freeze-dried (Alpha 1–4 LD Plus, Martin Christ, Osterode am Harz, Germany). Once fully dry, each fraction was weighed out (15 mg of symbiont fraction; 30 mg host fraction) into 1.5 ml microcentrifuge tubes, ready for metabolite extraction.

Ref:>/br> [1] Hillyer KE, Dias DA, Lutz A, Wilkinson SP, Roessner U, and Davy SK. (2017). Metabolite profiling of symbiont and host during thermal stress and bleaching in the coral Acropora aspera. Coral Reefs, 36(1), 1–14. doi:10.1007/s00338-016-1508-y
[2] Tremblay P, Grover R, Maguer JF, Legendre L, Ferrier-Pagès C. Autotrophic carbon budget in coral tissue: a new 13C-based model of photosynthate translocation. J Exp Biol. 2012 Apr 15;215(Pt 8):1384-93. doi:10.1242/jeb.065201. PMID:22442377
Extraction For the host samples, 750 μl of 100% cold MeOH (at -20 °C) was added to extract the semi-polar metabolites. Methanol (100%) contained 1% D-Sorbitol-13C6 (Sigma-Aldrich, Auckland, New Zealand) as the internal standard (IS). Samples were then sonicated for 30 min at 4 °C, vortexed to mix, and the semi-polar extract separated from the tissue debris by centrifugation (3060 x g for 30 min at 4 °C).

For the algal samples, the Symbiodinium cell walls were lysed by bead-milling. Acid-washed glass beads (approximately 20 mg of 710–1180 μm; Sigma-Aldrich, Auckland, New Zealand) and 200 μl of 100% cold MeOH (plus IS at -20 °C) were added to each sample. Bead-milling (Tissuelyser II, Qiagen Inc., Hilden, Germany) was for 4 min at a frequency of 30 Hz. Visual counts (haemocytometer) of trial samples confirmed effective cellular disruption (over 90% of cells). A further 550 μl of 100% cold MeOH (plus 1% IS at -20 °C) was then added and the samples centrifuged (3000 x g for 30 min at 4 °C) to separate the semi-polar extract from the cell debris. The supernatants were collected and stored on ice, while a second extraction was carried out with the remaining cell debris.

For both host and symbiont samples, 750 μl of 50% MeOH (at -20 °C) was added to the cell debris to extract the remaining polar fraction. The samples were then vortexed and re-centrifuged (3000 x g for 30 min at 4 °C). The supernatant was removed, and the polar and semi-polar extracts were combined and centrifuged at 21,200 x g for 5 min at 4 °C to separate any particulates. Aliquots of each sample (200 μl of host and 150 μl of symbiont) were then concentrated under vacuum at 30 °C until completely dry (Christ, RVC 2-33 Speedvac, John Morris Scientific, Melbourne, Australia).

Metabolite derivatisation was based on the method previously described[1]. Briefly, all samples were re-dissolved in 20 μl of 30 mg/ml methoxyamine hydrochloride in pyridineand derivatised at 37 °C for 120 min with mixing at 500 rpm. 20 μl N,O-bis-(trimethylsilyl) trifluoroacetamide (BSTFA) and 1 μl retention-time standard mixture comprised of n-alkanes were then added and the samples incubated for a further 30 min with mixing at 500 rpm. Each derivatised sample was then allowed to rest for 60 min prior to injection into the GC–MS. Comparative analysis was undertaken for all metabolite samples (0, 6 and 8 d), with additional targeted quantitative analysis undertaken for extracts from the final time-point (8 d ambient and thermal stress; symbiont and host).

Ref:
[1] Dias DA, Hill CB, Jayasinghe NS, Atieno J, Sutton T, Roessner U. Quantitative profiling of polar primary metabolites of two chickpea cultivars with contrasting responses to salinity. J Chromatogr B Analyt Technol Biomed Life Sci. 2015 Sep 1;1000:1-13. doi:10.1016/j.jchromb.2015.07.002. PMID:26204234
Chromatography GC–MS analysis was performed on an Agilent 7890 gas chromatograph equipped with Gerstel MPS2 multipurpose sampler and coupled to an Agilent 5975C VL mass selective detector, run in splitless mode, with an injection volume of 1 μl of each sample and a technical replicate of 2 injections per sample. The GC was fitted with a Varian Factor 4 column (VF-5 ms; 30 m x 0.25 mm x 0.25 μm + 10 m Ezi-guard). Helium (ultra-high purity, UHP) was in constant flow mode at approximately 1 ml/min with retention-time locking (RTL) applied. The oven temperature was started at 70 °C, held for 1 min and then increased at 7 °C/min to 325 °C and finally held at this temperature for 3.5 min. Instrument control was performed with Agilent G1701A Revision E.02.01 ChemStation software.
Mass spectrometry Mass spectra were collected on a Agilent 5975C VL MSD. The MS quadrupole temperature was set at 150 °C, with the source set at 250 °C and the transfer line held at 280 °C. Positive ion electron impact spectra at 70 eV were recorded in scan mode with the following settings: a gain factor of 1.00; detector threshold of 150; mass to charge (m/z) range of 50–600 m/z; and solvent delay of 6.0 min.
Data transformation Data were processed using the Agilent MassHunter Workstation Software, Quantitative Analysis, Version B.05.00/Build 5.0.291.0 for quantitation of all compounds.
Metabolite identification Metabolite data extraction and analysis were undertaken based on the protocol previously described[1]. Compound identification was based on an in-house library of MS spectra; with retention indices based on n-alkane standards and fatty acid standards (Menhaden fish oil, Sigma-Aldrich, Auckland). Derivative peak areas were used to semi-quantify the concentrations of individual metabolites. Data were then normalized to the final area of the internal standard and sample dry weight.

Ref:
[1] Dias DA, Hill CB, Jayasinghe NS, Atieno J, Sutton T, Roessner U. Quantitative profiling of polar primary metabolites of two chickpea cultivars with contrasting responses to salinity. J Chromatogr B Analyt Technol Biomed Life Sci. 2015 Sep 1;1000:1-13. doi:10.1016/j.jchromb.2015.07.002. PMID:26204234
Source Name Organism Organism part Protocol REF Sample Name Stable isotope Stress duration Unit Symbiotic partner Temperature treatment Replicate
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 7S_1 12C 0 day algae Dark 1
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 8S_1 12C 0 day algae Dark 2
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 9S_1 12C 0 day algae Dark 3
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 10S_1 13C 0 day algae Dark 4
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 11S_1 13C 0 day algae Dark 5
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 12S_1 13C 0 day algae Dark 6
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 25S_1 12C 6 day algae Control aquarium 1
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 26S_1 12C 6 day algae Control aquarium 2
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 27S_1 12C 6 day algae Control aquarium 3
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 28S_1 12C 6 day algae Control aquarium 4
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 29S_1 12C 6 day algae Control aquarium 5
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 30S_1 12C 6 day algae Control aquarium 6
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 31S_1 12C 6 day algae Heated aquarium 1
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 32S_1 12C 6 day algae Heated aquarium 2
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 33S_1 12C 6 day algae Heated aquarium 3
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 34S_1 12C 6 day algae Heated aquarium 4
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 35S_1 12C 6 day algae Heated aquarium 5
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 36S_1 12C 6 day algae Heated aquarium 6
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 37S_1 13C 6 day algae Control aquarium 1
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 38S_1 13C 6 day algae Control aquarium 2
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 39S_1 13C 6 day algae Control aquarium 3
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 40S_1 13C 6 day algae Control aquarium 4
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 41S_1 13C 6 day algae Control aquarium 5
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 42S_1 13C 6 day algae Control aquarium 6
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 43S_1 13C 6 day algae Heated aquarium 1
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 44S_1 13C 6 day algae Heated aquarium 2
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 45S_1 13C 6 day algae Heated aquarium 3
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 46S_1 13C 6 day algae Heated aquarium 4
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 47S_1 13C 6 day algae Heated aquarium 5
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 48S_1 13C 6 day algae Heated aquarium 6
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 97S_1 12C 9 day algae Control aquarium 1
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 98S_1 12C 9 day algae Control aquarium 2
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 99S_1 12C 9 day algae Control aquarium 3
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 100S_1 12C 9 day algae Control aquarium 4
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 101S_1 12C 9 day algae Control aquarium 5
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 102S_1 12C 9 day algae Control aquarium 6
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 103S_1 12C 9 day algae Heated aquarium 1
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 104S_1 12C 9 day algae Heated aquarium 2
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 105S_1 12C 9 day algae Heated aquarium 3
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 106S_1 12C 9 day algae Heated aquarium 4
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 107S_1 12C 9 day algae Heated aquarium 5
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 108S_1 12C 9 day algae Heated aquarium 6
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 109S_1 13C 9 day algae Control aquarium 1
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 110S_1 13C 9 day algae Control aquarium 2
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 111S_1 13C 9 day algae Control aquarium 3
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 112S_1 13C 9 day algae Control aquarium 4
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 113S_1 13C 9 day algae Control aquarium 5
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 114S_1 13C 9 day algae Control aquarium 6
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 115S_1 13C 9 day algae Heated aquarium 1
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 116S_1 13C 9 day algae Heated aquarium 2
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 117S_1 13C 9 day algae Heated aquarium 3
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 118S_1 13C 9 day algae Heated aquarium 4
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 119S_1 13C 9 day algae Heated aquarium 5
Sym Symbiodinium sp. ex Acropora aspera endometabolome Sample collection 120S_1 13C 9 day algae Heated aquarium 6
Host Acropora aspera endometabolome Sample collection 7H_2 12C 0 day coral Dark 1
Host Acropora aspera endometabolome Sample collection 8H_1 12C 0 day coral Dark 2
Host Acropora aspera endometabolome Sample collection 9H_1 12C 0 day coral Dark 3
Host Acropora aspera endometabolome Sample collection 10H_1 13C 0 day coral Dark 4
Host Acropora aspera endometabolome Sample collection 11H_1 13C 0 day coral Dark 5
Host Acropora aspera endometabolome Sample collection 12H_1 13C 0 day coral Dark 6
Host Acropora aspera endometabolome Sample collection 25H_1 12C 6 day coral Control aquarium 1
Host Acropora aspera endometabolome Sample collection 26H_1 12C 6 day coral Control aquarium 2
Host Acropora aspera endometabolome Sample collection 27H_1 12C 6 day coral Control aquarium 3
Host Acropora aspera endometabolome Sample collection 28H_1 12C 6 day coral Control aquarium 4
Host Acropora aspera endometabolome Sample collection 29H_1 12C 6 day coral Control aquarium 5
Host Acropora aspera endometabolome Sample collection 30H_1 12C 6 day coral Control aquarium 6
Host Acropora aspera endometabolome Sample collection 31H_1 12C 6 day coral Heated aquarium 1
Host Acropora aspera endometabolome Sample collection 32H_1 12C 6 day coral Heated aquarium 2
Host Acropora aspera endometabolome Sample collection 33H_1 12C 6 day coral Heated aquarium 3
Host Acropora aspera endometabolome Sample collection 34H_1 12C 6 day coral Heated aquarium 4
Host Acropora aspera endometabolome Sample collection 35H_1 12C 6 day coral Heated aquarium 5
Host Acropora aspera endometabolome Sample collection 36H_1 12C 6 day coral Heated aquarium 6
Host Acropora aspera endometabolome Sample collection 37H_1 13C 6 day coral Control aquarium 1
Host Acropora aspera endometabolome Sample collection 38H_1 13C 6 day coral Control aquarium 2
Host Acropora aspera endometabolome Sample collection 39H_1 13C 6 day coral Control aquarium 3
Host Acropora aspera endometabolome Sample collection 40H_1 13C 6 day coral Control aquarium 4
Host Acropora aspera endometabolome Sample collection 41H_1 13C 6 day coral Control aquarium 5
Host Acropora aspera endometabolome Sample collection 42H_1 13C 6 day coral Control aquarium 6
Host Acropora aspera endometabolome Sample collection 43H_1 13C 6 day coral Heated aquarium 1
Host Acropora aspera endometabolome Sample collection 44H_1 13C 6 day coral Heated aquarium 2
Host Acropora aspera endometabolome Sample collection 45H_1 13C 6 day coral Heated aquarium 3
Host Acropora aspera endometabolome Sample collection 46H_1 13C 6 day coral Heated aquarium 4
Host Acropora aspera endometabolome Sample collection 47H_1 13C 6 day coral Heated aquarium 5
Host Acropora aspera endometabolome Sample collection 48H_1 13C 6 day coral Heated aquarium 6
Host Acropora aspera endometabolome Sample collection 97H_1 12C 9 day coral Control aquarium 1
Host Acropora aspera endometabolome Sample collection 98H_1 12C 9 day coral Control aquarium 2
Host Acropora aspera endometabolome Sample collection 99H_1 12C 9 day coral Control aquarium 3
Host Acropora aspera endometabolome Sample collection 100H_1 12C 9 day coral Control aquarium 4
Host Acropora aspera endometabolome Sample collection 101H_1 12C 9 day coral Control aquarium 5
Host Acropora aspera endometabolome Sample collection 102H_1 12C 9 day coral Control aquarium 6
Host Acropora aspera endometabolome Sample collection 103H_1 12C 9 day coral Heated aquarium 1
Host Acropora aspera endometabolome Sample collection 104H_1 12C 9 day coral Heated aquarium 2
Host Acropora aspera endometabolome Sample collection 105H_1 12C 9 day coral Heated aquarium 3
Host Acropora aspera endometabolome Sample collection 106H_1 12C 9 day coral Heated aquarium 4
Host Acropora aspera endometabolome Sample collection 107H_1 12C 9 day coral Heated aquarium 5
Host Acropora aspera endometabolome Sample collection 108H_1 12C 9 day coral Heated aquarium 6
Host Acropora aspera endometabolome Sample collection 109H_1 13C 9 day coral Control aquarium 1
Host Acropora aspera endometabolome Sample collection 110H_1 13C 9 day coral Control aquarium 2
Host Acropora aspera endometabolome Sample collection 111H_1 13C 9 day coral Control aquarium 3
Host Acropora aspera endometabolome Sample collection 112H_1 13C 9 day coral Control aquarium 4
Host Acropora aspera endometabolome Sample collection 113H_1 13C 9 day coral Control aquarium 5
Host Acropora aspera endometabolome Sample collection 114H_1 13C 9 day coral Control aquarium 6
Host Acropora aspera endometabolome Sample collection 115H_1 13C 9 day coral Heated aquarium 1
Host Acropora aspera endometabolome Sample collection 116H_1 13C 9 day coral Heated aquarium 2
Host Acropora aspera endometabolome Sample collection 117H_1 13C 9 day coral Heated aquarium 3
Host Acropora aspera endometabolome Sample collection 118H_1 13C 9 day coral Heated aquarium 4
Host Acropora aspera endometabolome Sample collection 119H_1 13C 9 day coral Heated aquarium 5
Host Acropora aspera endometabolome Sample collection 120H_1 13C 9 day coral Heated aquarium 6

Assay  1

Assay file name: a_mtbls538_algae_mass_spectrometry.txt
Technology: mass spectrometry
Platform: 5975C Series GC/MSD (Agilent)

Instrumentation

Sample Name Protocol REF Post Extraction Derivatization Extract Name Protocol REF Chromatography Instrument Autosampler model Column model Column type Guard column 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
7S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 7S_1 7S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 7S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
8S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 8S_1 8S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 8S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
9S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 9S_1 9S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 9S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
10S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 10S_1 10S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 10S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
11S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 11S_1 11S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 11S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
12S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 12S_1 12S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 12S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
25S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 25S_1 25S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 25S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
26S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 26S_1 26S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 26S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
27S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 27S_1 27S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 27S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
28S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 28S_1 28S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 28S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
29S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 29S_1 29S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 29S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
30S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 30S_1 30S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 30S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
31S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 31S_1 31S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 31S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
32S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 32S_1 32S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 32S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
33S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 33S_1 33S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 33S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
34S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 34S_1 34S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 34S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
35S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 35S_1 35S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 35S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
36S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 36S_1 36S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 36S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
37S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 37S_1 37S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 37S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
38S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 38S_1 38S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 38S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
39S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 39S_1 39S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 39S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
40S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 40S_1 40S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 40S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
41S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 41S_1 41S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 41S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
42S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 42S_1 42S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 42S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
43S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 43S_1 43S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 43S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
44S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 44S_1 44S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 44S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
45S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 45S_1 45S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 45S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
46S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 46S_1 46S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 46S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
47S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 47S_1 47S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 47S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
48S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 48S_1 48S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 48S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
97S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 97S_1 97S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 97S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
98S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 98S_1 98S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 98S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
99S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 99S_1 99S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 99S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
100S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 100S_1 100S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 100S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
101S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 101S_1 101S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 101S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
102S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 102S_1 102S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 102S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
103S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 103S_1 103S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 103S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
104S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 104S_1 104S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 104S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
105S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 105S_1 105S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 105S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
106S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 106S_1 106S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 106S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
107S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 107S_1 107S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 107S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
108S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 108S_1 108S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 108S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
109S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 109S_1 109S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 109S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
110S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 110S_1 110S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 110S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
111S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 111S_1 111S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 111S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
112S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 112S_1 112S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 112S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
113S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 113S_1 113S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 113S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
114S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 114S_1 114S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 114S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
115S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 115S_1 115S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 115S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
116S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 116S_1 116S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 116S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
117S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 117S_1 117S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 117S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
118S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 118S_1 118S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 118S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
119S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 119S_1 119S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 119S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
120S_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 120S_1 120S_1.CDF Data transformation Batch export Symb coral 13C.xlsx 120S_1.CDF Metabolite identification m_mtbls538_algae_mass_spectrometry_v2_maf.tsv

Assay  2

Assay file name: a_mtbls538_coral_mass_spectrometry.txt
Technology: mass spectrometry
Platform: 5975C Series GC/MSD (Agilent)

Instrumentation

Sample Name Protocol REF Post Extraction Derivatization Extract Name Protocol REF Chromatography Instrument Autosampler model Column model Column type Guard column 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
7H_2 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 7H_2 7H_2.CDF Data transformation 13C host 12c samples batch.xlsx 7H_2.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
8H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 8H_1 8H_1.CDF Data transformation 13C host 12c samples batch.xlsx 8H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
9H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 9H_1 9H_1.CDF Data transformation 13C host 12c samples batch.xlsx 9H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
10H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 10H_1 10H_1.CDF Data transformation 13C host 12c samples batch.xlsx 10H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
11H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 11H_1 11H_1.CDF Data transformation 13C host 12c samples batch.xlsx 11H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
12H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 12H_1 12H_1.CDF Data transformation 13C host 12c samples batch.xlsx 12H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
25H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 25H_1 25H_1.CDF Data transformation 13C host 12c samples batch.xlsx 25H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
26H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 26H_1 26H_1.CDF Data transformation 13C host 12c samples batch.xlsx 26H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
27H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 27H_1 27H_1.CDF Data transformation 13C host 12c samples batch.xlsx 27H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
28H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 28H_1 28H_1.CDF Data transformation 13C host 12c samples batch.xlsx 28H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
29H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 29H_1 29H_1.CDF Data transformation 13C host 12c samples batch.xlsx 29H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
30H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 30H_1 30H_1.CDF Data transformation 13C host 12c samples batch.xlsx 30H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
31H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 31H_1 31H_1.CDF Data transformation 13C host 12c samples batch.xlsx 31H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
32H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 32H_1 32H_1.CDF Data transformation 13C host 12c samples batch.xlsx 32H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
33H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 33H_1 33H_1.CDF Data transformation 13C host 12c samples batch.xlsx 33H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
34H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 34H_1 34H_1.CDF Data transformation 13C host 12c samples batch.xlsx 34H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
35H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 35H_1 35H_1.CDF Data transformation 13C host 12c samples batch.xlsx 35H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
36H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 36H_1 36H_1.CDF Data transformation 13C host 12c samples batch.xlsx 36H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
37H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 37H_1 37H_1.CDF Data transformation 13C host 12c samples batch.xlsx 37H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
38H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 38H_1 38H_1.CDF Data transformation 13C host 12c samples batch.xlsx 38H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
39H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 39H_1 39H_1.CDF Data transformation 13C host 12c samples batch.xlsx 39H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
40H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 40H_1 40H_1.CDF Data transformation 13C host 12c samples batch.xlsx 40H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
41H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 41H_1 41H_1.CDF Data transformation 13C host 12c samples batch.xlsx 41H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
42H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 42H_1 42H_1.CDF Data transformation 13C host 12c samples batch.xlsx 42H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
43H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 43H_1 43H_1.CDF Data transformation 13C host 12c samples batch.xlsx 43H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
44H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 44H_1 44H_1.CDF Data transformation 13C host 12c samples batch.xlsx 44H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
45H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 45H_1 45H_1.CDF Data transformation 13C host 12c samples batch.xlsx 45H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
46H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 46H_1 46H_1.CDF Data transformation 13C host 12c samples batch.xlsx 46H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
47H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 47H_1 47H_1.CDF Data transformation 13C host 12c samples batch.xlsx 47H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
48H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 48H_1 48H_1.CDF Data transformation 13C host 12c samples batch.xlsx 48H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
97H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 97H_1 97H_1.CDF Data transformation 13C host 12c samples batch.xlsx 97H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
98H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 98H_1 98H_1.CDF Data transformation 13C host 12c samples batch.xlsx 98H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
99H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 99H_1 99H_1.CDF Data transformation 13C host 12c samples batch.xlsx 99H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
100H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 100H_1 100H_1.CDF Data transformation 13C host 12c samples batch.xlsx 100H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
101H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 101H_1 101H_1.CDF Data transformation 13C host 12c samples batch.xlsx 101H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
102H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 102H_1 102H_1.CDF Data transformation 13C host 12c samples batch.xlsx 102H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
103H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 103H_1 103H_1.CDF Data transformation 13C host 12c samples batch.xlsx 103H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
104H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 104H_1 104H_1.CDF Data transformation 13C host 12c samples batch.xlsx 104H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
105H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 105H_1 105H_1.CDF Data transformation 13C host 12c samples batch.xlsx 105H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
106H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 106H_1 106H_1.CDF Data transformation 13C host 12c samples batch.xlsx 106H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
107H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 107H_1 107H_1.CDF Data transformation 13C host 12c samples batch.xlsx 107H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
108H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 108H_1 108H_1.CDF Data transformation 13C host 12c samples batch.xlsx 108H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
109H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 109H_1 109H_1.CDF Data transformation 13C host 12c samples batch.xlsx 109H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
110H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 110H_1 110H_1.CDF Data transformation 13C host 12c samples batch.xlsx 110H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
111H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 111H_1 111H_1.CDF Data transformation 13C host 12c samples batch.xlsx 111H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
112H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 112H_1 112H_1.CDF Data transformation 13C host 12c samples batch.xlsx 112H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
113H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 113H_1 113H_1.CDF Data transformation 13C host 12c samples batch.xlsx 113H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
114H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 114H_1 114H_1.CDF Data transformation 13C host 12c samples batch.xlsx 114H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
115H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 115H_1 115H_1.CDF Data transformation 13C host 12c samples batch.xlsx 115H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
116H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 116H_1 116H_1.CDF Data transformation 13C host 12c samples batch.xlsx 116H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
117H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 117H_1 117H_1.CDF Data transformation 13C host 12c samples batch.xlsx 117H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
118H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 118H_1 118H_1.CDF Data transformation 13C host 12c samples batch.xlsx 118H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
119H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 119H_1 119H_1.CDF Data transformation 13C host 12c samples batch.xlsx 119H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
120H_1 Extraction sylilation Chromatography Agilent 7890 GC GERSTEL MultiPurpose Sampler (MPS 2) VF-5ms GC (0.25 µm, 0.25 mm x 30 m; Varian) low polarity 10 m EZGuard (Varian) Mass spectrometry positive 50-600 Agilent 5975C MSD electron ionization quadrupole 120H_1 120H_1.CDF Data transformation 13C host 12c samples batch.xlsx 120H_1.CDF Metabolite identification m_mtbls538_coral_mass_spectrometry_v2_maf.tsv
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Aspera Download Details:

List of study files   Subset

File
40S_1.CDF
48H_1.CDF
110H_1.CDF
36H_1.CDF
107H_1.CDF
103H_1.CDF
32H_1.CDF
42S_1.CDF
113H_1.CDF
a_mtbls538_algae_mass_spectrometry.txt
9H_1.CDF
104H_1.CDF
111S_1.CDF
114S_1.CDF
26S_1.CDF
101H_1.CDF
28H_1.CDF
117S_1.CDF
117H_1.CDF
10H_1.CDF
46H_1.CDF
106S_1.CDF
118S_1.CDF
7S_1.CDF
118H_1.CDF
29S_1.CDF
42H_1.CDF
26H_1.CDF
35H_1.CDF
29H_1.CDF
106H_1.CDF
99H_1.CDF
44H_1.CDF
48S_1.CDF
116H_1.CDF
41S_1.CDF
28S_1.CDF
38S_1.CDF
102S_1.CDF
9S_1.CDF
112H_1.CDF
31S_1.CDF
101S_1.CDF
8H_1.CDF
47H_1.CDF
99S_1.CDF
33S_1.CDF
27H_1.CDF
8S_1.CDF
120S_1.CDF
115H_1.CDF
46S_1.CDF
105S_1.CDF
25H_1.CDF
103S_1.CDF
112S_1.CDF
45S_1.CDF
98H_1.CDF
97S_1.CDF
100H_1.CDF
32S_1.CDF
108H_1.CDF
109H_1.CDF
105H_1.CDF
40H_1.CDF
33H_1.CDF
30S_1.CDF
11S_1.CDF
7H_2.CDF
104S_1.CDF
37H_1.CDF
47S_1.CDF
25S_1.CDF
39S_1.CDF
34S_1.CDF
11H_1.CDF
36S_1.CDF
43S_1.CDF
108S_1.CDF
34H_1.CDF
12S_1.CDF
115S_1.CDF
39H_1.CDF
44S_1.CDF
113S_1.CDF
110S_1.CDF
119S_1.CDF
audit
120H_1.CDF
45H_1.CDF
109S_1.CDF
35S_1.CDF
37S_1.CDF
107S_1.CDF
111H_1.CDF
27S_1.CDF
119H_1.CDF
97H_1.CDF
114H_1.CDF
38H_1.CDF
31H_1.CDF
12H_1.CDF
116S_1.CDF
30H_1.CDF
10S_1.CDF
102H_1.CDF
41H_1.CDF
98S_1.CDF
43H_1.CDF
100S_1.CDF
i_Investigation.txt
s_mtbls538.txt
metexplore_mapping.json
a_mtbls538_coral_mass_spectrometry.txt
m_mtbls538_algae_mass_spectrometry_v2_maf.tsv
m_mtbls538_coral_mass_spectrometry_v2_maf.tsv

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

Pathways - Assay  1



MetExplore Pathways Mapping

Name DB Identifier Mapped Metabolite(s)

Pathways - Assay  2



MetExplore Pathways Mapping

Name DB Identifier Mapped Metabolite(s)