http://lod.bco-dmo.org/id/dataset/886420 eng; USA utf8 dataset Highest level of data collection, from a common set of sensors or instrumentation, usually within the same research project Biological and Chemical Oceanography Data Management Office (BCO-DMO) Unavailable 508-289-2009 WHOI MS#36 Woods Hole MA 02543 USA info@bco-dmo.org http://www.bco-dmo.org Monday - Friday 8:00am - 5:00pm For questions regarding this resource, please contact BCO-DMO via the email address provided. pointOfContact 2023-01-06 ISO 19115-2 Geographic Information - Metadata - Part 2: Extensions for Imagery and Gridded Data ISO 19115-2:2009(E) Metabolomic data collected during a thermal stress experiment using reef building corals collected in Kāne'ohe Bay, O'ahu, Hawai'i. 2023-01-31 publication 2023-01-31 revision Marine Biological Laboratory/Woods Hole Oceanographic Institution Library (MBLWHOI DLA) 2023-01-31 publication https://doi.org/10.26008/1912/bco-dmo.886420.1 Hollie Putnam University of Rhode Island principalInvestigator Biological and Chemical Oceanography Data Management Office (BCO-DMO) Unavailable 508-289-2009 WHOI MS#36 Woods Hole MA 02543 USA info@bco-dmo.org http://www.bco-dmo.org Monday - Friday 8:00am - 5:00pm For questions regarding this resource, please contact BCO-DMO via the email address provided. publisher Cite this dataset as: Strand, E., Putnam, H. (2023) Metabolomic data collected during a thermal stress experiment using reef building corals collected in Kāne'ohe Bay, O'ahu, Hawai'i. Biological and Chemical Oceanography Data Management Office (BCO-DMO). (Version 1) Version Date 2023-01-31 [if applicable, indicate subset used]. doi:10.26008/1912/bco-dmo.886420.1 [access date] Thermal Stress Experiment: Targeted Metabolites Dataset Description: Methods and Sampling: &lt;p&gt;From the waters of &lt;strong&gt;Kāne‘ohe Bay, HI&lt;/strong&gt;, four colonies of each coral species &lt;em&gt;M. capitata&lt;/em&gt; and &lt;em&gt;P. acuta&lt;/em&gt; were identified and collected under SAP 2019-60. Each of the four colonies for each species was fragmented into 30 pieces at the &lt;strong&gt;Hawaiʻi Institute of Marine Biology, located on Moku o Loʻe in Kāne‘ohe Bay, HI&lt;/strong&gt;, and hot-glued to labeled plugs. (21N 157 W ; depth 1m).&lt;/p&gt; &lt;p&gt;Metabolite extraction and analysis performed at Rutgers University.&lt;/p&gt; &lt;h3&gt;&lt;strong&gt;Metabolite extraction from coral nubbins:&lt;/strong&gt; 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 16,000&lt;em&gt;g&lt;/em&gt;&amp;nbsp;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&amp;nbsp;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.&lt;/h3&gt; &lt;p dir=&quot;ltr&quot;&gt;&lt;strong&gt;Polar metabolite processing: &lt;/strong&gt;Polar metabolite extractions were based on Lu et al. (2017). In a glass Dounce homogenizer, samples were mechanically ground in one mL of 40:40:20 (methanol: acetonitrile:water) (v/v/v) + 0.1 M formic acid extraction buffer after incubation in the buffer for 5 min. The sample was transferred to a 1.5-mL Eppendorf tube, with an additional 500 mL of extraction buffer used to rinse the Dounce. The samples were then vortexed for 10 s, before a 10-min centrifugation (16,000g) at 4 C. A total of 500 mL of the homogenate was then transferred to another Eppendorf tube and 44 mL of 15% NH4HCO3 was added to neutralize the extraction buffer. The samples were run on an ultra-high–performance LC-MS (UHPLC-MS), consisting of a Vanquish Horizon UHPLC system (Thermo Fisher Scientific, Waltham, MA, USA) with XBridge BEH Amide column (150 mm by 2.1 mm, 2.5-mm particle size; Waters, Milford, MA, USA), and a Thermo Fisher Scientific Q Exactive Plus with a HESI source.&lt;/p&gt; &lt;h3&gt;&lt;strong&gt;UHPLC conditions:&lt;/strong&gt; 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.&lt;/h3&gt; &lt;h3&gt;&lt;strong&gt;Full-scan MS: &lt;/strong&gt;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&amp;nbsp;&lt;em&gt;m&lt;/em&gt;/&lt;em&gt;z&lt;/em&gt;&amp;nbsp;scan range was set to 72 to 1000&amp;nbsp;&lt;em&gt;m&lt;/em&gt;/&lt;em&gt;z&lt;/em&gt;&amp;nbsp;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.&lt;/h3&gt; &lt;h3&gt;&lt;strong&gt;Parallel reaction monitoring MS:&lt;/strong&gt; The MS2&amp;nbsp;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&amp;nbsp;&lt;em&gt;m&lt;/em&gt;/&lt;em&gt;z&lt;/em&gt;&amp;nbsp;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&amp;nbsp;&lt;em&gt;m&lt;/em&gt;/&lt;em&gt;z&lt;/em&gt;. Collision energy was set to a stepwise 30, 50, and 80 normalized collision energy (NCE). Our results suggest that a single MS2&amp;nbsp;spectrum may contain irrelevant&amp;nbsp;&lt;em&gt;m&lt;/em&gt;/&lt;em&gt;z&lt;/em&gt;&amp;nbsp;signals and the pseudospectrum, generated by correlating multiple MS2&amp;nbsp;spectra to the MS1-extracted ion chromatogram, is an effective approach to “clean” the MS2&amp;nbsp;spectrum. The pseudospectra were generated using a modified version of COVINA (Su et al. 2020).&lt;/h3&gt; Funding provided by NSF Division of Ocean Sciences (NSF OCE) Award Number: OCE-1756623 Award URL: https://www.nsf.gov/awardsearch/show-award?AWD_ID=1756623 completed Hollie Putnam University of Rhode Island 808-554-1462 120 Flagg Rd. Kingston RI 02881 USA hputnam@uri.edu pointOfContact asNeeded Dataset Version: 1 Unknown Ionization groupId medMz medRt compound Blank1 Blank2 Blank3 M_1442_5_22_2019 M_1447_6_03_2019 M_1462_5_22_2019 M_1475_6_07_2019 M_1477_5_22_2019 M_1535_5_22_2019 M_1544_6_03_2019 M_1558_6_07_2019 M_1565_6_07_2019 M_1048_6_03_2019 M_1587_5_22_2019 M_1595_6_03_2019 M_1604_5_22_2019 M_1609_5_22_2019 M_1710_5_22_2019 M_1721_6_07_2019 M_1725_6_03_2019 M_1726_6_03_2019 M_1730_6_03_2019 M_1736_6_03_2019 M_1574_6_07_2019 M_1052_6_07_2019 M_1063_6_07_2019 M_1078_5_22_2019 M_1084_5_22_2019 M_1093_6_03_2019 M_1124_5_22_2019 M_1142_5_22_2019 M_1161_6_07_2019 M_1178_5_22_2019 M_1236_6_07_2019 M_1427_6_03_2019 M_1258_6_07_2019 M_1262_6_07_2019 M_1271_6_03_2019 M_1294_6_03_2019 M_1302_6_03_2019 M_1307_6_03_2019 M_1308_6_03_2019 M_1327_6_03_2019 M_1341_6_07_2019 M_1426_6_07_2019 M_1239_6_03_2019 M_2874_6_07_2019 M_2878_5_22_2019 M_2985_5_22_2019 M_2996_6_03_2019 M_2998_6_03_2019 M_2998_6_07_2019 M_M1_2016adj_1_5_31_2019 M_1740_6_07_2019 M_M1_2016adj_3_5_31_2019 M_M2_291_1_5_31_2019 M_M2_291_2_5_31_2019 M_M3_248_1_5_31_2019 M_M3_248_2_5_31_2019 M_M3_248_3_5_31_2019 M_M4_289_1_5_31_2019 M_M4_289_2_5_31_2019 M_M4_A_289_5_31_2019 M_M4_A_291_5_31_2019 M_M1_2016adj_2_5_31_2019 M_1744_6_07_2019 M_1772_5_22_2019 M_1773_6_07_2019 M_2005_6_07_2019 M_2019_5_22_2019 M_2023_5_22_2019 M_2058_6_03_2019 M_2172_6_07_2019 M_2183_6_03_2019 M_2210_5_22_2019 M_2871_5_22_2019 M_2306_6_07_2019 M_2396_6_07_2019 M_2413_6_03_2019 M_2519_5_22_2019 M_2530_6_03_2019 M_2734_6_07_2019 M_2740_6_03_2019 M_2741_6_03_2019 M_2750_5_22_2019 M_2756_5_22_2019 M_2212_6_07_2019 M_1044_6_03_2019 M_1060_6_7_2019 M_1068_6_7_2019 M_1079_6_7_2019 M_1090_5_22_2019 M_1092_6_7_2019 M_1103_6_7_2019 M_1115_5_22_2019 M_1156_6_7_2019 M_1181_5_22_2019 M_1196_5_22_2019 M_1208_6_7_2019 M_1212_6_03_2019 M_1213_6_03_2019 M_1216_5_22_2019 M_1222_6_03_2019 M_1230_6_03_2019 M_1232_6_03_2019 M_1268_6_03_2019 M_1278_6_7_2019 M_1297_6_03_2019 M_1299_5_22_2019 M_1310_5_22_2019 M_1317_6_7_2019 M_1319_5_22_2019 M_1344_6_7_2019 M_1415_5_22_2019 M_1425_5_22_2019 M_1454_6_7_2019 M_1481_5_22_2019 M_1482_6_03_2019 M_1570_6_03_2019 M_1579_6_03_2019 M_1580_6_7_2019 M_1583_6_7_2019 M_1586_6_03_2019 M_1599_6_7_2019 M_1605_6_7_2019 M_1632_5_22_2019 M_1637_5_22_2019 M_1638_6_03_2019 M_1640_6_03_2019 M_1651_5_22_2019 M_1676_6_03_2019 M_1702_5_22_2019 M_1751_5_22_2019 M_1999_5_22_2019 M_2001_6_03_2019 M_2010_6_03_2019 M_2022_5_22_2019 M_2072_6_7_2019 M_2076_6_7_2019 M_2081_5_22_2019 M_2156_6_03_2019 M_2169_6_7_2019 M_2194_6_7_2019 M_2388_6_7_2019 M_2391_6_03_2019 M_2397_6_03_2019 M_2409_5_22_2019 M_2511_5_22_2019 M_2528_6_7_2019 M_2540_5_22_2019 M_2552_6_03_2019 M_2854_6_7_2019 M_2855_6_7_2019 M_2864_6_03_2019 M_2866_5_22_2019 M_2872_6_03_2019 M_2978_5_22_2019 M_2995_6_7_2019 M_3000_6_03_2019 M_Poc_1_1_5_31_2019 M_Poc_1_2_5_31_2019 M_Poc_1_3_5_31_2019 M_Poc_2_1_5_31_2019 M_Poc_2_2_5_31_2019 M_Poc_2_3_5_31_2019 M_Poc_3_1_5_31_2019 M_Poc_3_2_5_31_2019 M_Poc_3_3_5_31_2019 M_Poc_4_1_5_31_2019 M_Poc_4_2_5_31_2019 M_Poc_4_3_5_31_2019 2-ml glass Dounce homogenizer Liquid chromatography mass spectrometer  Thermo Fisher Scientific Q Exactive Plus Vanquish Horizon UHPLC system (Thermo Fisher Scientific, Waltham, MA) theme None, User defined sample identification ratio time_elapsed metabolite count featureType BCO-DMO Standard Parameters Centrifuge Homogenizer Mass Spectrometer Mass Spectrometer Ultra-high-performance liquid chromatography instrument BCO-DMO Standard Instruments otherRestrictions otherRestrictions Access Constraints: none. Use Constraints: Please follow guidelines at: http://www.bco-dmo.org/terms-use Distribution liability: Under no circumstances shall BCO-DMO be liable for any direct, incidental, special, consequential, indirect, or punitive damages that result from the use of, or the inability to use, the materials in this data submission. If you are dissatisfied with any materials in this data submission your sole and exclusive remedy is to discontinue use. NSFOCE-BSF: COLLABORATIVE RESEARCH: Elucidating adaptive potential through coral holobiont functional integration https://sites.rutgers.edu/coralbase/ NSFOCE-BSF: COLLABORATIVE RESEARCH: Elucidating adaptive potential through coral holobiont functional integration <p>NSF Abstract:</p> <p>The remarkable success of coral reefs is explained by interactions of the coral animal with its symbiotic microbiome that is comprised of photosynthetic algae and bacteria. This total organism, or "holobiont", enables high ecosystem biodiversity and productivity in coral reefs. These ecosystems are, however, under threat from a rapidly changing environment. This project aims to integrate information from the cellular to organismal level to identify key mechanisms of adaptation and acclimatization to environmental stress. Specific areas to be investigated include the role of symbionts and of epigenetics (molecular "marks" on coral DNA that regulate gene expression). These aspects will be studied in Hawaiian corals to determine whether they explain why some individuals are sensitive or resistant to environmental perturbation. Results from the proposed project will also provide significant genomic resources that will contribute to fundamental understanding of how complex biological systems generate emergent (i.e., unexpected) properties when faced with fluctuating environments. Broader impacts will extend beyond scientific advancements to include postdoctoral and student training in Science, Technology, Engineering and Mathematics (STEM). Data generated in the project will be used to train university students and do public outreach through live videos of experimental work, and short stop-action animations for topics such as symbiosis, genomics, epigenetics, inheritance, and adaptation. The research approaches and results will be shared with the public in Hawaii through the Hawaii Institute of Marine Biology education department and presentations at Hawaiian hotels, as well as at Rutgers University through its 4-H Rutgerscience Saturdays and 4-H Rutgers Summer Science Programs.</p> <p>Symbiosis is a complex and ecologically integrated interaction between organisms that provides emergent properties key to their survival. Such is the case for the relationship between reef-building corals and their microbiome, a meta-organism, where nutritional and biogeochemical recycling provide the necessary benefits that fuel high reef productivity and calcification. The rapid warming and acidification of our oceans threatens this symbiosis. This project addresses how relatively stress resistant and stress sensitive corals react to the environmental perturbations of increased temperature and reduced pH. It utilizes transcriptomic, epigenetic, and microbial profiling approaches, to elucidate how corals respond to environmental challenges. In addition to this profiling, work by the BSF Israeli partner will implement powerful analytical techniques such as network theory to detect key transcriptional hubs in meta-organisms and quantify biological integration. This work will generate a stress gene inventory for two ecologically important coral species and a (epi)genome and microbiome level of understanding of how they respond to the physical environment. Acknowledgment of a role for epigenetic mechanisms in corals overturns the paradigm of hardwired genetic control and highlights the interplay of genetic and epigenetic variation that may result in emergent evolutionary and ecologically relevant properties with implications for the future of reefs. Furthermore, clarifying the joint contribution of the microbiome and host in response to abiotic change will provide an important model in metazoan host-microbiome biotic interactions.</p> <p>This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.</p> Holobiont Integration largerWorkCitation project eng; USA oceans 2023-01-31 Hawaii, Rhode Island, New Jersey, Israel 0 BCO-DMO catalogue of parameters from Metabolomic data collected during a thermal stress experiment using reef building corals collected in Kāne'ohe Bay, O'ahu, Hawai'i. Biological and Chemical Oceanography Data Management Office (BCO-DMO) Unavailable 508-289-2009 WHOI MS#36 Woods Hole MA 02543 USA info@bco-dmo.org http://www.bco-dmo.org Monday - Friday 8:00am - 5:00pm For questions regarding this resource, please contact BCO-DMO via the email address provided. pointOfContact http://lod.bco-dmo.org/id/dataset-parameter/887956.rdf Name: Ionization Units: unitless Description: <p>The target group (M. capitata or P. acuta) and ionization (positive or negative)</p> http://lod.bco-dmo.org/id/dataset-parameter/887957.rdf Name: groupId Units: unitless Description: <p>Group ID number </p> http://lod.bco-dmo.org/id/dataset-parameter/887958.rdf Name: medMz Units: unitless Description: <p>Median mass to charge ratio: medians for each metabolite across each sample.</p> http://lod.bco-dmo.org/id/dataset-parameter/887959.rdf Name: medRt Units: unitless Description: <p>Median retention time: time for metabolite to elute</p> http://lod.bco-dmo.org/id/dataset-parameter/887960.rdf Name: compound Units: unitless Description: <p>Metabolite compound name</p> http://lod.bco-dmo.org/id/dataset-parameter/887961.rdf Name: Blank1 Units: ion count Description: <p>Blank sample, usually the effluent solvent, run to check the instrument&#039;s baseline readings.</p> http://lod.bco-dmo.org/id/dataset-parameter/887962.rdf Name: Blank2 Units: ion count Description: <p>Blank sample, usually the effluent solvent, run to check the instrument&#039;s baseline readings.</p> http://lod.bco-dmo.org/id/dataset-parameter/887963.rdf Name: Blank3 Units: ion count Description: <p>Blank sample, usually the effluent solvent, run to check the instrument&#039;s baseline readings.</p> http://lod.bco-dmo.org/id/dataset-parameter/887964.rdf Name: M_1442_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887965.rdf Name: M_1447_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887966.rdf Name: M_1462_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887967.rdf Name: M_1475_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887968.rdf Name: M_1477_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887969.rdf Name: M_1535_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887970.rdf Name: M_1544_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887971.rdf Name: M_1558_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887972.rdf Name: M_1565_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887973.rdf Name: M_1048_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887974.rdf Name: M_1587_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887975.rdf Name: M_1595_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887976.rdf Name: M_1604_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887977.rdf Name: M_1609_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887978.rdf Name: M_1710_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887979.rdf Name: M_1721_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887980.rdf Name: M_1725_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887981.rdf Name: M_1726_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887982.rdf Name: M_1730_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887983.rdf Name: M_1736_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887984.rdf Name: M_1574_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887985.rdf Name: M_1052_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887986.rdf Name: M_1063_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887987.rdf Name: M_1078_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887988.rdf Name: M_1084_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887989.rdf Name: M_1093_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887990.rdf Name: M_1124_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887991.rdf Name: M_1142_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887992.rdf Name: M_1161_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887993.rdf Name: M_1178_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887994.rdf Name: M_1236_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887995.rdf Name: M_1427_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887996.rdf Name: M_1258_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887997.rdf Name: M_1262_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887998.rdf Name: M_1271_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/887999.rdf Name: M_1294_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888000.rdf Name: M_1302_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888001.rdf Name: M_1307_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888002.rdf Name: M_1308_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888003.rdf Name: M_1327_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888004.rdf Name: M_1341_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888005.rdf Name: M_1426_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888006.rdf Name: M_1239_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888007.rdf Name: M_2874_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888008.rdf Name: M_2878_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888009.rdf Name: M_2985_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888010.rdf Name: M_2996_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888011.rdf Name: M_2998_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888012.rdf Name: M_2998_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888013.rdf Name: M_M1_2016adj_1_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888014.rdf Name: M_1740_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888015.rdf Name: M_M1_2016adj_3_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888016.rdf Name: M_M2_291_1_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888017.rdf Name: M_M2_291_2_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888018.rdf Name: M_M3_248_1_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888019.rdf Name: M_M3_248_2_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888020.rdf Name: M_M3_248_3_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888021.rdf Name: M_M4_289_1_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888022.rdf Name: M_M4_289_2_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888023.rdf Name: M_M4_A_289_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888024.rdf Name: M_M4_A_291_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888025.rdf Name: M_M1_2016adj_2_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888026.rdf Name: M_1744_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888027.rdf Name: M_1772_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888028.rdf Name: M_1773_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888029.rdf Name: M_2005_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888030.rdf Name: M_2019_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888031.rdf Name: M_2023_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888032.rdf Name: M_2058_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888033.rdf Name: M_2172_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888034.rdf Name: M_2183_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888035.rdf Name: M_2210_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888036.rdf Name: M_2871_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888037.rdf Name: M_2306_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888038.rdf Name: M_2396_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888039.rdf Name: M_2413_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888040.rdf Name: M_2519_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888041.rdf Name: M_2530_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888042.rdf Name: M_2734_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888043.rdf Name: M_2740_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888044.rdf Name: M_2741_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888045.rdf Name: M_2750_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888046.rdf Name: M_2756_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888047.rdf Name: M_2212_6_07_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888048.rdf Name: M_1044_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888049.rdf Name: M_1060_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888050.rdf Name: M_1068_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888051.rdf Name: M_1079_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888052.rdf Name: M_1090_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888053.rdf Name: M_1092_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888054.rdf Name: M_1103_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888055.rdf Name: M_1115_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888056.rdf Name: M_1156_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888057.rdf Name: M_1181_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888058.rdf Name: M_1196_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888059.rdf Name: M_1208_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888060.rdf Name: M_1212_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888061.rdf Name: M_1213_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888062.rdf Name: M_1216_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888063.rdf Name: M_1222_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888064.rdf Name: M_1230_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888065.rdf Name: M_1232_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888066.rdf Name: M_1268_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888067.rdf Name: M_1278_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888068.rdf Name: M_1297_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888069.rdf Name: M_1299_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888070.rdf Name: M_1310_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888071.rdf Name: M_1317_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888072.rdf Name: M_1319_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888073.rdf Name: M_1344_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888074.rdf Name: M_1415_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888075.rdf Name: M_1425_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888076.rdf Name: M_1454_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888077.rdf Name: M_1481_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888078.rdf Name: M_1482_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888079.rdf Name: M_1570_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888080.rdf Name: M_1579_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888081.rdf Name: M_1580_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888082.rdf Name: M_1583_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888083.rdf Name: M_1586_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888084.rdf Name: M_1599_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888085.rdf Name: M_1605_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888086.rdf Name: M_1632_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888087.rdf Name: M_1637_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888088.rdf Name: M_1638_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888089.rdf Name: M_1640_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888090.rdf Name: M_1651_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888091.rdf Name: M_1676_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888092.rdf Name: M_1702_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888093.rdf Name: M_1751_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888094.rdf Name: M_1999_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888095.rdf Name: M_2001_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888096.rdf Name: M_2010_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888097.rdf Name: M_2022_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888098.rdf Name: M_2072_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888099.rdf Name: M_2076_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888100.rdf Name: M_2081_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888101.rdf Name: M_2156_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888102.rdf Name: M_2169_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888103.rdf Name: M_2194_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888104.rdf Name: M_2388_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888105.rdf Name: M_2391_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888106.rdf Name: M_2397_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888107.rdf Name: M_2409_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888108.rdf Name: M_2511_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888109.rdf Name: M_2528_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888110.rdf Name: M_2540_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888111.rdf Name: M_2552_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888112.rdf Name: M_2854_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888113.rdf Name: M_2855_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888114.rdf Name: M_2864_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888115.rdf Name: M_2866_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888116.rdf Name: M_2872_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888117.rdf Name: M_2978_5_22_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888118.rdf Name: M_2995_6_7_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888119.rdf Name: M_3000_6_03_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888120.rdf Name: M_Poc_1_1_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888121.rdf Name: M_Poc_1_2_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888122.rdf Name: M_Poc_1_3_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888123.rdf Name: M_Poc_2_1_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888124.rdf Name: M_Poc_2_2_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888125.rdf Name: M_Poc_2_3_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888126.rdf Name: M_Poc_3_1_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888127.rdf Name: M_Poc_3_2_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888128.rdf Name: M_Poc_3_3_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888129.rdf Name: M_Poc_4_1_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888130.rdf Name: M_Poc_4_2_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> http://lod.bco-dmo.org/id/dataset-parameter/888131.rdf Name: M_Poc_4_3_5_31_2019 Units: ion count Description: <p>Ion counts for each metabolite in experimental samples</p> GB/NERC/BODC > British Oceanographic Data Centre, Natural Environment Research Council, United Kingdom Biological and Chemical Oceanography Data Management Office (BCO-DMO) Unavailable 508-289-2009 WHOI MS#36 Woods Hole MA 02543 USA info@bco-dmo.org http://www.bco-dmo.org Monday - Friday 8:00am - 5:00pm For questions regarding this resource, please contact BCO-DMO via the email address provided. pointOfContact 532747 https://darchive.mblwhoilibrary.org/server/api/core/bitstreams/93be1dc7-c773-5685-afe2-8198532939e3/content download https://doi.org/10.26008/1912/bco-dmo.886420.1 download onLine dataset &lt;p&gt;From the waters of &lt;strong&gt;Kāne‘ohe Bay, HI&lt;/strong&gt;, four colonies of each coral species &lt;em&gt;M. capitata&lt;/em&gt; and &lt;em&gt;P. acuta&lt;/em&gt; were identified and collected under SAP 2019-60. Each of the four colonies for each species was fragmented into 30 pieces at the &lt;strong&gt;Hawaiʻi Institute of Marine Biology, located on Moku o Loʻe in Kāne‘ohe Bay, HI&lt;/strong&gt;, and hot-glued to labeled plugs. (21N 157 W ; depth 1m).&lt;/p&gt; &lt;p&gt;Metabolite extraction and analysis performed at Rutgers University.&lt;/p&gt; &lt;h3&gt;&lt;strong&gt;Metabolite extraction from coral nubbins:&lt;/strong&gt; 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 16,000&lt;em&gt;g&lt;/em&gt;&amp;nbsp;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&amp;nbsp;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.&lt;/h3&gt; &lt;p dir=&quot;ltr&quot;&gt;&lt;strong&gt;Polar metabolite processing: &lt;/strong&gt;Polar metabolite extractions were based on Lu et al. (2017). In a glass Dounce homogenizer, samples were mechanically ground in one mL of 40:40:20 (methanol: acetonitrile:water) (v/v/v) + 0.1 M formic acid extraction buffer after incubation in the buffer for 5 min. The sample was transferred to a 1.5-mL Eppendorf tube, with an additional 500 mL of extraction buffer used to rinse the Dounce. The samples were then vortexed for 10 s, before a 10-min centrifugation (16,000g) at 4 C. A total of 500 mL of the homogenate was then transferred to another Eppendorf tube and 44 mL of 15% NH4HCO3 was added to neutralize the extraction buffer. The samples were run on an ultra-high–performance LC-MS (UHPLC-MS), consisting of a Vanquish Horizon UHPLC system (Thermo Fisher Scientific, Waltham, MA, USA) with XBridge BEH Amide column (150 mm by 2.1 mm, 2.5-mm particle size; Waters, Milford, MA, USA), and a Thermo Fisher Scientific Q Exactive Plus with a HESI source.&lt;/p&gt; &lt;h3&gt;&lt;strong&gt;UHPLC conditions:&lt;/strong&gt; 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.&lt;/h3&gt; &lt;h3&gt;&lt;strong&gt;Full-scan MS: &lt;/strong&gt;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&amp;nbsp;&lt;em&gt;m&lt;/em&gt;/&lt;em&gt;z&lt;/em&gt;&amp;nbsp;scan range was set to 72 to 1000&amp;nbsp;&lt;em&gt;m&lt;/em&gt;/&lt;em&gt;z&lt;/em&gt;&amp;nbsp;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.&lt;/h3&gt; &lt;h3&gt;&lt;strong&gt;Parallel reaction monitoring MS:&lt;/strong&gt; The MS2&amp;nbsp;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&amp;nbsp;&lt;em&gt;m&lt;/em&gt;/&lt;em&gt;z&lt;/em&gt;&amp;nbsp;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&amp;nbsp;&lt;em&gt;m&lt;/em&gt;/&lt;em&gt;z&lt;/em&gt;. Collision energy was set to a stepwise 30, 50, and 80 normalized collision energy (NCE). Our results suggest that a single MS2&amp;nbsp;spectrum may contain irrelevant&amp;nbsp;&lt;em&gt;m&lt;/em&gt;/&lt;em&gt;z&lt;/em&gt;&amp;nbsp;signals and the pseudospectrum, generated by correlating multiple MS2&amp;nbsp;spectra to the MS1-extracted ion chromatogram, is an effective approach to “clean” the MS2&amp;nbsp;spectrum. The pseudospectra were generated using a modified version of COVINA (Su et al. 2020).&lt;/h3&gt; Specified by the Principal Investigator(s) &lt;p&gt;&lt;strong&gt;Metabolite Data analysis:&lt;/strong&gt; The MS1&amp;nbsp;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&amp;nbsp;t&amp;nbsp;test that assumed unequal variance.&amp;nbsp;P&amp;nbsp;values were then adjusted using the Benjamini-Hochberg correction (false discovery rate, &amp;lt;0.05). Of those features with adjusted&amp;nbsp;P&amp;nbsp;&amp;lt; 0.05, the Fisher’s exact test was then applied to determine whether the putative dipeptides were significantly enriched in those features.&lt;/p&gt; &lt;p&gt;&lt;strong&gt;Metabolite&amp;nbsp;&amp;nbsp;Data quality:&lt;/strong&gt; 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.&lt;/p&gt; Specified by the Principal Investigator(s) asNeeded 7.x-1.1 Biological and Chemical Oceanography Data Management Office (BCO-DMO) Unavailable 508-289-2009 WHOI MS#36 Woods Hole MA 02543 USA info@bco-dmo.org http://www.bco-dmo.org Monday - Friday 8:00am - 5:00pm For questions regarding this resource, please contact BCO-DMO via the email address provided. pointOfContact PI Supplied Instrument Name: Instrument Name: Centrifuge Instrument Short Name: Instrument 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. 2-ml glass Dounce homogenizer 2-ml glass Dounce homogenizer PI Supplied Instrument Name: 2-ml glass Dounce homogenizer Instrument Name: Homogenizer Instrument Short Name:Homogenizer Instrument 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. Liquid chromatography mass spectrometer  Liquid chromatography mass spectrometer  PI Supplied Instrument Name: Liquid chromatography mass spectrometer  Instrument Name: Mass Spectrometer Instrument Short Name:Mass Spec Instrument 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. Community Standard Description: http://vocab.nerc.ac.uk/collection/L05/current/LAB16/ Thermo Fisher Scientific Q Exactive Plus Thermo Fisher Scientific Q Exactive Plus PI Supplied Instrument Name: Thermo Fisher Scientific Q Exactive Plus Instrument Name: Mass Spectrometer Instrument Short Name:Mass Spec Instrument 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. Community Standard Description: http://vocab.nerc.ac.uk/collection/L05/current/LAB16/ Vanquish Horizon UHPLC system (Thermo Fisher Scientific, Waltham, MA) Vanquish Horizon UHPLC system (Thermo Fisher Scientific, Waltham, MA) PI Supplied Instrument Name: Vanquish Horizon UHPLC system (Thermo Fisher Scientific, Waltham, MA) Instrument Name: Ultra-high-performance liquid chromatography Instrument Short Name:UHPLC Instrument 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.