#METABOLOMICS WORKBENCH bpdurham_20190329_143038 DATATRACK_ID:1690 STUDY_ID:ST001184 ANALYSIS_ID:AN001972 PROJECT_ID:PR000797 VERSION 1 CREATED_ON May 23, 2019, 3:59 pm #PROJECT PR:PROJECT_TITLE Sulfonates in marine plankton PR:PROJECT_SUMMARY C2- and C3-sulfonates were quantified in marine plankton particulate samples. PR:INSTITUTE University of Washington PR:DEPARTMENT Oceanography PR:LABORATORY Ingalls PR:LAST_NAME Durham PR:FIRST_NAME Bryndan PR:ADDRESS Benjamin Hall Rm 330 PR:EMAIL bpdurham@uw.edu PR:PHONE 206-685-4196 PR:FUNDING_SOURCE NSF and Simons Foundation PR:PUBLICATIONS Durham et al., Nature Microbiology #STUDY ST:STUDY_TITLE Sulfonates in marine plankton ST:STUDY_SUMMARY C2- and C3-sulfonates were quantified in marine plankton particulate samples. ST:INSTITUTE University of Washington ST:DEPARTMENT Oceanography ST:LABORATORY Ingalls ST:LAST_NAME Durham ST:FIRST_NAME Bryndan ST:ADDRESS Benjamin Hall Rm 330 ST:EMAIL bpdurham@uw.edu ST:PHONE 206-685-4196 #SUBJECT SU:SUBJECT_TYPE Other SU:SUBJECT_SPECIES Marine Plankton #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS Emiliania huxleyi CCMP2090 161107_Smp_2090_A Replicate:A SUBJECT_SAMPLE_FACTORS Emiliania huxleyi CCMP2090 161107_Smp_2090_B Replicate:B SUBJECT_SAMPLE_FACTORS Emiliania huxleyi CCMP2090 161107_Smp_2090_C Replicate:C SUBJECT_SAMPLE_FACTORS Emiliania huxleyi CCMP371 161107_Smp_371_A Replicate:A SUBJECT_SAMPLE_FACTORS Emiliania huxleyi CCMP371 161107_Smp_371_B Replicate:B SUBJECT_SAMPLE_FACTORS Emiliania huxleyi CCMP371 161107_Smp_371_C Replicate:C SUBJECT_SAMPLE_FACTORS Cyclotella meneghiniana CCMP338 161107_Smp_Cy_A Replicate:A SUBJECT_SAMPLE_FACTORS Cyclotella meneghiniana CCMP338 161107_Smp_Cy_B Replicate:B SUBJECT_SAMPLE_FACTORS Cyclotella meneghiniana CCMP338 161107_Smp_Cy_C Replicate:C SUBJECT_SAMPLE_FACTORS Navicula pelliculosa CCMP543 161107_Smp_Np_A Replicate:A SUBJECT_SAMPLE_FACTORS Navicula pelliculosa CCMP543 170213_Smp_Np_B Replicate:B SUBJECT_SAMPLE_FACTORS Navicula pelliculosa CCMP543 161107_Smp_Np_C Replicate:C SUBJECT_SAMPLE_FACTORS Phaeodactylum tricornutum CCMP2561 170213_Smp_Pt_A Replicate:A SUBJECT_SAMPLE_FACTORS Phaeodactylum tricornutum CCMP2561 161107_Smp_Pt_F Replicate:F SUBJECT_SAMPLE_FACTORS Pseudo-nitzschia pungens Pc55x 170213_Smp_Pcx_A Replicate:A SUBJECT_SAMPLE_FACTORS Pseudo-nitzschia pungens Pc55x 170213_Smp_Pcx_B Replicate:B SUBJECT_SAMPLE_FACTORS Pseudo-nitzschia pungens Pc55x 170213_Smp_Pcx_C Replicate:C SUBJECT_SAMPLE_FACTORS Thalassiosira oceanica CCMP1005 161107_Smp_To_A Replicate:A SUBJECT_SAMPLE_FACTORS Thalassiosira oceanica CCMP1005 161107_Smp_To_B Replicate:B SUBJECT_SAMPLE_FACTORS Thalassiosira oceanica CCMP1005 161107_Smp_To_C Replicate:C SUBJECT_SAMPLE_FACTORS Thalassiosira pseudonana CCMP1335 161107_Smp_Tp_A Replicate:A SUBJECT_SAMPLE_FACTORS Thalassiosira pseudonana CCMP1335 161107_Smp_Tp_E Replicate:E SUBJECT_SAMPLE_FACTORS Thalassiosira pseudonana CCMP1335 161107_Smp_Tp_F Replicate:F SUBJECT_SAMPLE_FACTORS Alexandrium tamarense CCMP1771 170821_Smp_1771_A Replicate:A SUBJECT_SAMPLE_FACTORS Alexandrium tamarense CCMP1771 170821_Smp_1771_B Replicate:B SUBJECT_SAMPLE_FACTORS Alexandrium tamarense CCMP1771 170821_Smp_1771_C Replicate:C SUBJECT_SAMPLE_FACTORS Amphidinium carterae CCMP1314 170821_Smp_1314_A Replicate:A SUBJECT_SAMPLE_FACTORS Amphidinium carterae CCMP1314 170821_Smp_1314_B Replicate:B SUBJECT_SAMPLE_FACTORS Amphidinium carterae CCMP1314 170821_Smp_1314_C Replicate:C SUBJECT_SAMPLE_FACTORS Heterocapsa triquetra CCMP449 170821_Smp_449_A Replicate:A SUBJECT_SAMPLE_FACTORS Heterocapsa triquetra CCMP449 170821_Smp_449_B Replicate:B SUBJECT_SAMPLE_FACTORS Heterocapsa triquetra CCMP449 170821_Smp_449_C Replicate:C SUBJECT_SAMPLE_FACTORS Lingulodinium polyedra CCMP2021 170821_Smp_2021_A Replicate:A SUBJECT_SAMPLE_FACTORS Lingulodinium polyedra CCMP2021 170821_Smp_2021_B Replicate:B SUBJECT_SAMPLE_FACTORS Lingulodinium polyedra CCMP2021 170821_Smp_2021_C Replicate:C SUBJECT_SAMPLE_FACTORS Micromonas pusilla CCMP1545 170821_Smp_1545_A Replicate:A SUBJECT_SAMPLE_FACTORS Micromonas pusilla CCMP1545 170821_Smp_1545_B Replicate:B SUBJECT_SAMPLE_FACTORS Micromonas pusilla CCMP1545 170821_Smp_1545_C Replicate:C SUBJECT_SAMPLE_FACTORS Ostreococcus lucimarinus CCMP3430 180227_Smp_3430_A Replicate:A SUBJECT_SAMPLE_FACTORS Ostreococcus lucimarinus CCMP3430 180227_Smp_3430_B Replicate:B SUBJECT_SAMPLE_FACTORS Ostreococcus lucimarinus CCMP3430 180227_Smp_3430_C Replicate:C SUBJECT_SAMPLE_FACTORS Crocosphaera watsonii WH8501 161114_Smp_8501_B Replicate:B SUBJECT_SAMPLE_FACTORS Crocosphaera watsonii WH8501 161114_Smp_8501_C Replicate:C SUBJECT_SAMPLE_FACTORS Crocosphaera watsonii WH8501 161114_Smp_8501_D Replicate:D SUBJECT_SAMPLE_FACTORS Prochlorococcus marinus 1314x 170821_Smp_1314P_A Replicate:A SUBJECT_SAMPLE_FACTORS Prochlorococcus marinus 1314x 170821_Smp_1314P_B Replicate:B SUBJECT_SAMPLE_FACTORS Prochlorococcus marinus 1314x 170821_Smp_1314P_C Replicate:C SUBJECT_SAMPLE_FACTORS Prochlorococcus marinus AS9601 170821_Smp_As9601_A Replicate:A SUBJECT_SAMPLE_FACTORS Prochlorococcus marinus AS9601 170821_Smp_As9601_B Replicate:B SUBJECT_SAMPLE_FACTORS Prochlorococcus marinus AS9601 170821_Smp_As9601_C Replicate:C SUBJECT_SAMPLE_FACTORS Prochlorococcus marinus MED4 161114_Smp_MED4_D Replicate:D SUBJECT_SAMPLE_FACTORS Prochlorococcus marinus MED4 161114_Smp_MED4_E Replicate:E SUBJECT_SAMPLE_FACTORS Prochlorococcus marinus MED4 161114_Smp_MED4_F Replicate:F SUBJECT_SAMPLE_FACTORS Prochlorococcus marinus Natl2A 170821_Smp_Nat_A Replicate:A SUBJECT_SAMPLE_FACTORS Prochlorococcus marinus Natl2A 170821_Smp_Nat_B Replicate:B SUBJECT_SAMPLE_FACTORS Prochlorococcus marinus Natl2A 170821_Smp_Nat_C Replicate:C SUBJECT_SAMPLE_FACTORS Synechococcus sp. WH7803 161114_Smp_7803_B Replicate:B SUBJECT_SAMPLE_FACTORS Synechococcus sp. WH7803 161114_Smp_7803_F Replicate:F SUBJECT_SAMPLE_FACTORS Synechococcus sp. WH8102 161114_Smp_8102_A Replicate:A SUBJECT_SAMPLE_FACTORS Synechococcus sp. WH8102 161114_Smp_8102_F Replicate:F SUBJECT_SAMPLE_FACTORS Croceibacter sp. SA60 161116_Smp_SA60_A Replicate:A SUBJECT_SAMPLE_FACTORS Croceibacter sp. SA60 161116_Smp_SA60_B Replicate:B SUBJECT_SAMPLE_FACTORS Croceibacter sp. SA60 161116_Smp_SA60_C Replicate:C SUBJECT_SAMPLE_FACTORS Hyphomonas sp. SA36 170117_Smp_SA36_A Replicate:A SUBJECT_SAMPLE_FACTORS Hyphomonas sp. SA36 170117_Smp_SA36_B Replicate:B SUBJECT_SAMPLE_FACTORS Hyphomonas sp. SA36 170117_Smp_SA36_C Replicate:C SUBJECT_SAMPLE_FACTORS Limnobacter sp. SA59 161116_Smp_SA59_A Replicate:A SUBJECT_SAMPLE_FACTORS Limnobacter sp. SA59 161116_Smp_SA59_B Replicate:B SUBJECT_SAMPLE_FACTORS Limnobacter sp. SA59 161116_Smp_SA59_C Replicate:C SUBJECT_SAMPLE_FACTORS Marinobacter sp. SA55 161107_Smp_SA55_A Replicate:A SUBJECT_SAMPLE_FACTORS Marinobacter sp. SA55 161107_Smp_SA55_B Replicate:B SUBJECT_SAMPLE_FACTORS Marinobacter sp. SA55 170117_Smp_SA55_C Replicate:C SUBJECT_SAMPLE_FACTORS Pseudoalteromonas sp. SA7 161116_Smp_SA7_A Replicate:A SUBJECT_SAMPLE_FACTORS Pseudoalteromonas sp. SA7 161116_Smp_SA7_B Replicate:B SUBJECT_SAMPLE_FACTORS Pseudoalteromonas sp. SA7 170117_Smp_SA7_C Replicate:C SUBJECT_SAMPLE_FACTORS Roseobacter denitrifcans Och 114 170117_Smp_Och_A Replicate:A SUBJECT_SAMPLE_FACTORS Roseobacter denitrifcans Och 114 170117_Smp_Och_B Replicate:B SUBJECT_SAMPLE_FACTORS Roseobacter denitrifcans Och 114 170117_Smp_Och_C Replicate:C SUBJECT_SAMPLE_FACTORS Roseovarius sp. SA33 161107_Smp_SA33_A Replicate:A SUBJECT_SAMPLE_FACTORS Roseovarius sp. SA33 161107_Smp_SA33_B Replicate:B SUBJECT_SAMPLE_FACTORS Roseovarius sp. SA33 161107_Smp_SA33_C Replicate:C SUBJECT_SAMPLE_FACTORS Ruegeria pomeroyi DSS-3 170117_Smp_DSS3_A Replicate:A SUBJECT_SAMPLE_FACTORS Ruegeria pomeroyi DSS-3 170117_Smp_DSS3_B Replicate:B SUBJECT_SAMPLE_FACTORS Ruegeria pomeroyi DSS-3 170117_Smp_DSS3_C Replicate:C SUBJECT_SAMPLE_FACTORS Sulfitobacter sp. SA11 170117_Smp_SA11_A Replicate:A SUBJECT_SAMPLE_FACTORS Sulfitobacter sp. SA11 170117_Smp_SA11_B Replicate:B SUBJECT_SAMPLE_FACTORS Sulfitobacter sp. SA11 170117_Smp_SA11_C Replicate:C SUBJECT_SAMPLE_FACTORS Sulfitobacter sp. SA16 161116_Smp_SA16_A Replicate:A SUBJECT_SAMPLE_FACTORS Sulfitobacter sp. SA16 161116_Smp_SA16_B Replicate:B SUBJECT_SAMPLE_FACTORS Sulfitobacter sp. SA16 161116_Smp_SA16_C Replicate:C SUBJECT_SAMPLE_FACTORS Sulfitobacter sp. SA30 161107_Smp_SA30_A Replicate:A SUBJECT_SAMPLE_FACTORS Sulfitobacter sp. SA30 161107_Smp_SA30_B Replicate:B SUBJECT_SAMPLE_FACTORS Sulfitobacter sp. SA30 161107_Smp_SA30_C Replicate:C SUBJECT_SAMPLE_FACTORS Sulfitobacter sp. SA44 170117_Smp_SA44_B Replicate:B SUBJECT_SAMPLE_FACTORS Sulfitobacter sp. SA44 170117_Smp_SA44_C Replicate:C SUBJECT_SAMPLE_FACTORS Sulfitobacter sp. SA48 170117_Smp_SA48_A Replicate:A SUBJECT_SAMPLE_FACTORS Sulfitobacter sp. SA48 170117_Smp_SA48_B Replicate:B SUBJECT_SAMPLE_FACTORS Sulfitobacter sp. SA48 170117_Smp_SA48_C Replicate:C SUBJECT_SAMPLE_FACTORS Sulfitobacter sp. SA53 170117_Smp_SA53_A Replicate:A SUBJECT_SAMPLE_FACTORS Sulfitobacter sp. SA53 170117_Smp_SA53_B Replicate:B SUBJECT_SAMPLE_FACTORS Sulfitobacter sp. SA53 170117_Smp_SA53_C Replicate:C SUBJECT_SAMPLE_FACTORS Thalassospira sp. SA42 161107_Smp_SA42_A Replicate:A SUBJECT_SAMPLE_FACTORS Thalassospira sp. SA42 161107_Smp_SA42_B Replicate:B SUBJECT_SAMPLE_FACTORS Thalassospira sp. SA42 161107_Smp_SA42_C Replicate:C SUBJECT_SAMPLE_FACTORS Diel_study_S6C1 160627_Smp_1R1 Replicate:1 SUBJECT_SAMPLE_FACTORS Diel_study_S6C1 160627_Smp_1R2 Replicate:2 SUBJECT_SAMPLE_FACTORS Diel_study_S6C1 160627_Smp_1R3 Replicate:3 SUBJECT_SAMPLE_FACTORS Diel_study_S7C1 160627_Smp_2R1 Replicate:1 SUBJECT_SAMPLE_FACTORS Diel_study_S7C1 160627_Smp_2R2 Replicate:2 SUBJECT_SAMPLE_FACTORS Diel_study_S7C1 160627_Smp_2R3 Replicate:3 SUBJECT_SAMPLE_FACTORS Diel_study_S8C1 160627_Smp_3R1 Replicate:1 SUBJECT_SAMPLE_FACTORS Diel_study_S8C1 160627_Smp_3R2 Replicate:2 SUBJECT_SAMPLE_FACTORS Diel_study_S8C1 160627_Smp_3R3 Replicate:3 SUBJECT_SAMPLE_FACTORS Diel_study_S11C1 160627_Smp_4R1 Replicate:1 SUBJECT_SAMPLE_FACTORS Diel_study_S11C1 160627_Smp_4R2 Replicate:2 SUBJECT_SAMPLE_FACTORS Diel_study_S11C1 160627_Smp_4R3 Replicate:3 SUBJECT_SAMPLE_FACTORS Diel_study_S14C1 160627_Smp_5R1 Replicate:1 SUBJECT_SAMPLE_FACTORS Diel_study_S14C1 160627_Smp_5R2 Replicate:2 SUBJECT_SAMPLE_FACTORS Diel_study_S14C1 160627_Smp_5R3 Replicate:3 SUBJECT_SAMPLE_FACTORS Diel_study_S15C1 160627_Smp_6R1 Replicate:1 SUBJECT_SAMPLE_FACTORS Diel_study_S15C1 160627_Smp_6R2 Replicate:2 SUBJECT_SAMPLE_FACTORS Diel_study_S15C1 160627_Smp_6R3 Replicate:3 SUBJECT_SAMPLE_FACTORS Diel_study_S16C1 160627_Smp_7R1 Replicate:1 SUBJECT_SAMPLE_FACTORS Diel_study_S16C1 160627_Smp_7R2 Replicate:2 SUBJECT_SAMPLE_FACTORS Diel_study_S16C1 160627_Smp_7R3 Replicate:3 SUBJECT_SAMPLE_FACTORS Diel_study_S17C1 160627_Smp_8R1 Replicate:1 SUBJECT_SAMPLE_FACTORS Diel_study_S17C1 160627_Smp_8R2 Replicate:2 SUBJECT_SAMPLE_FACTORS Diel_study_S17C1 160627_Smp_8R3 Replicate:3 SUBJECT_SAMPLE_FACTORS Diel_study_S18C1 160627_Smp_9R1 Replicate:1 SUBJECT_SAMPLE_FACTORS Diel_study_S18C1 160627_Smp_9R2 Replicate:2 SUBJECT_SAMPLE_FACTORS Diel_study_S18C1 160627_Smp_9R3 Replicate:3 SUBJECT_SAMPLE_FACTORS Diel_study_S19C1 160627_Smp_10R1 Replicate:1 SUBJECT_SAMPLE_FACTORS Diel_study_S19C1 160627_Smp_10R2 Replicate:2 SUBJECT_SAMPLE_FACTORS Diel_study_S19C1 160627_Smp_10R3 Replicate:3 SUBJECT_SAMPLE_FACTORS Diel_study_S20C1 160705_Smp_11R1 Replicate:1 SUBJECT_SAMPLE_FACTORS Diel_study_S20C1 160711_Smp_11R2 Replicate:2 SUBJECT_SAMPLE_FACTORS Diel_study_S20C1 160711_Smp_11R3 Replicate:3 SUBJECT_SAMPLE_FACTORS Diel_study_S21C1 160705_Smp_12R1 Replicate:1 SUBJECT_SAMPLE_FACTORS Diel_study_S21C1 160705_Smp_12R2 Replicate:2 SUBJECT_SAMPLE_FACTORS Diel_study_S21C1 160711_Smp_12R3 Replicate:3 SUBJECT_SAMPLE_FACTORS Diel_study_S22C1 160705_Smp_13R1 Replicate:1 SUBJECT_SAMPLE_FACTORS Diel_study_S22C1 160705_Smp_13R2 Replicate:2 SUBJECT_SAMPLE_FACTORS Diel_study_S22C1 160705_Smp_13R3 Replicate:3 SUBJECT_SAMPLE_FACTORS Diel_study_S23C1 160705_Smp_14R1 Replicate:1 SUBJECT_SAMPLE_FACTORS Diel_study_S23C1 160705_Smp_14R2 Replicate:2 SUBJECT_SAMPLE_FACTORS Diel_study_S23C1 160711_Smp_14R3 Replicate:3 SUBJECT_SAMPLE_FACTORS Diel_study_S24C1 160705_Smp_15R1 Replicate:1 SUBJECT_SAMPLE_FACTORS Diel_study_S24C1 160705_Smp_15R2 Replicate:2 SUBJECT_SAMPLE_FACTORS Diel_study_S24C1 160705_Smp_15R3 Replicate:3 SUBJECT_SAMPLE_FACTORS Diel_study_S26C1 160705_Smp_16R2 Replicate:1 SUBJECT_SAMPLE_FACTORS Diel_study_S26C1 160711_Smp_16R2 Replicate:2 SUBJECT_SAMPLE_FACTORS Diel_study_S26C1 160705_Smp_16R3 Replicate:3 SUBJECT_SAMPLE_FACTORS Diel_study_S28C1 160705_Smp_17R1 Replicate:1 SUBJECT_SAMPLE_FACTORS Diel_study_S28C1 160705_Smp_17R2 Replicate:2 SUBJECT_SAMPLE_FACTORS Diel_study_S28C1 160705_Smp_17R3 Replicate:3 SUBJECT_SAMPLE_FACTORS Diel_study_S29C1 160705_Smp_18R1 Replicate:1 SUBJECT_SAMPLE_FACTORS Diel_study_S29C1 160711_Smp_18R2 Replicate:2 SUBJECT_SAMPLE_FACTORS Diel_study_S29C1 160711_Smp_18R3 Replicate:3 SUBJECT_SAMPLE_FACTORS Diel_study_S30C1 160705_Smp_19R1 Replicate:1 SUBJECT_SAMPLE_FACTORS Diel_study_S30C1 160705_Smp_19R2 Replicate:2 SUBJECT_SAMPLE_FACTORS Diel_study_S30C1 160705_Smp_19R3 Replicate:3 SUBJECT_SAMPLE_FACTORS Diel_study_S31C1 160705_Smp_20R1 Replicate:1 SUBJECT_SAMPLE_FACTORS Diel_study_S31C1 160705_Smp_20R2 Replicate:2 SUBJECT_SAMPLE_FACTORS Diel_study_S31C1 160705_Smp_20R3 Replicate:3 SUBJECT_SAMPLE_FACTORS Diel_study_pooled pooled sample Replicate:1 #COLLECTION CO:COLLECTION_SUMMARY Cultured marine plankton cells grown to mid-to-late exponential phase were CO:COLLECTION_SUMMARY filtered onto 0.2-micron filters and extracted for metabolites as described in CO:COLLECTION_SUMMARY methods. Environmental plankton samples were collected onto 0.2-micron filters CO:COLLECTION_SUMMARY during a diel study (Diel_study_StationCastNumber) in the North Pacific. CO:SAMPLE_TYPE Plankton cells #TREATMENT TR:TREATMENT_SUMMARY Marine plankton cells were cultured according to standard protocols, and TR:TREATMENT_SUMMARY environmental samples were collected in situ. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Marine plankton cells were extracted using the described protocols. SP:SAMPLEPREP_PROTOCOL_FILENAME SP_Ingalls_extraction_protocol.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Waters Acquity I-Class CH:COLUMN_NAME SeQuant ZIC- pHILIC (150 x 2.1mm, 5um) CH:METHODS_FILENAME CH_Ingalls_LC_protocol.pdf #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE MS_Ingalls_MS_protocol.pdf #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS See protocol. MS:MS_RESULTS_FILE ST001184_AN001972_Results.txt UNITS:peak area per liter of filtered seawater Has m/z:Yes Has RT:Yes RT units:Minutes #END