#METABOLOMICS WORKBENCH Andressa_Stuart_20211112_035200 DATATRACK_ID:2926 STUDY_ID:ST001990 ANALYSIS_ID:AN003242 VERSION 1 CREATED_ON 02-08-2024 #PROJECT PR:PROJECT_TITLE Metabolomics of the interaction between a consortium of entomopathogenic fungi PR:PROJECT_TITLE and their target insect: mechanisms of attack and survival PR:PROJECT_TYPE Untargeted Metabolomics PR:PROJECT_SUMMARY One of the most concerning pests that attack strawberries in Brazil is PR:PROJECT_SUMMARY Duponchelia fovealis, a non-native moth with no registered control methods to PR:PROJECT_SUMMARY date. Our group recently observed that a fungal consortium formed by two strains PR:PROJECT_SUMMARY of Beauveria bassiana increased the mortality of D. fovealis more than PR:PROJECT_SUMMARY inoculation with each strain on its own. However, the molecular interaction PR:PROJECT_SUMMARY between the fungal consortium and the caterpillars is unknown, raising several PR:PROJECT_SUMMARY questions about the enhanced pest control observed. Furthermore, concerns over PR:PROJECT_SUMMARY the emergency of resistance and the selection for resistance to chemical and PR:PROJECT_SUMMARY biological products that are constantly applied in agriculture highlight the PR:PROJECT_SUMMARY need for careful examination of novel pest control methods. Thus, in this work, PR:PROJECT_SUMMARY we sought to pioneer the evaluation of the molecular interaction between a PR:PROJECT_SUMMARY fungal consortium of B. bassiana and D. fovealis caterpillars. We aimed to PR:PROJECT_SUMMARY understand the biocontrol process involved in this interaction and the defense PR:PROJECT_SUMMARY system of the caterpillar. Therefore, seven days after D. fovealis caterpillars PR:PROJECT_SUMMARY were inoculated with the B. bassiana consortium, the dead and surviving PR:PROJECT_SUMMARY caterpillars were analyzed using GC-MS and LC-MS/MS. PR:INSTITUTE Universidade Federal do Paraná PR:DEPARTMENT Patologia Básica PR:LABORATORY Laboratório de Microbiologia e Biologia Molecular PR:LAST_NAME Katiski da Costa Stuart PR:FIRST_NAME Andressa PR:ADDRESS Av. Cel. Francisco Heráclito dos Santos, 100, Curitiba, Paraná, 81530-000, PR:ADDRESS Brazil PR:EMAIL andressa.katiski@gmail.com PR:PHONE 5541991922779 PR:PROJECT_COMMENTS Previous studies by our research group showed the increased potential for PR:PROJECT_COMMENTS biocontrol on the insect pest Duponchelia fovealis when two strains of Beauveria PR:PROJECT_COMMENTS bassiana were used together as a fungal consortium. In this work we sought to PR:PROJECT_COMMENTS identify the metabolites involved in the interaction between the consortium PR:PROJECT_COMMENTS formed by different B. bassiana strains and its target insect, D. fovealis. We PR:PROJECT_COMMENTS identify the metabolites using non-targeted metabolomics, applying gas and PR:PROJECT_COMMENTS liquid chromatography coupled to mass spectrometers (GC-MS and LC-MS/MS). These PR:PROJECT_COMMENTS analyses aimed to elucidate the molecular mechanisms involved in the biocontrol PR:PROJECT_COMMENTS effect of the fungal consortium on D. fovealis and to examine possible PR:PROJECT_COMMENTS explanations for the survival of some caterpillars due to a potential resistance PR:PROJECT_COMMENTS mechanism. Dead and surviving caterpillars were analyzed separately. PR:DOI http://dx.doi.org/10.21228/M8B39F PR:CONTRIBUTORS Jason Lee Furuie, Thais Regiani Cataldi, Rodrigo Makowiecky Stuart, Maria PR:CONTRIBUTORS Aparecida Cassilha Zawadneak, Carlos Alberto Labate, Ida Chapaval Pimentel #STUDY ST:STUDY_TITLE Metabolomics of the interaction between a consortium of entomopathogenic fungi ST:STUDY_TITLE and their target insect: mechanisms of attack and survival ST:STUDY_TYPE Untargeted Metabolomics ST:STUDY_SUMMARY One of the most concerning pests that attack strawberries in Brazil is ST:STUDY_SUMMARY Duponchelia fovealis, a non-native moth with no registered control methods to ST:STUDY_SUMMARY date. Our group recently observed that a fungal consortium formed by two strains ST:STUDY_SUMMARY of Beauveria bassiana increased the mortality of D. fovealis more than ST:STUDY_SUMMARY inoculation with each strain on its own. However, the molecular interaction ST:STUDY_SUMMARY between the fungal consortium and the caterpillars is unknown, raising several ST:STUDY_SUMMARY questions about the enhanced pest control observed. Furthermore, concerns over ST:STUDY_SUMMARY the emergency of resistance and the selection for resistance to chemical and ST:STUDY_SUMMARY biological products that are constantly applied in agriculture highlight the ST:STUDY_SUMMARY need for careful examination of novel pest control methods. Thus, in this work, ST:STUDY_SUMMARY we sought to pioneer the evaluation of the molecular interaction between a ST:STUDY_SUMMARY fungal consortium of B. bassiana and D. fovealis caterpillars. We aimed to ST:STUDY_SUMMARY understand the biocontrol process involved in this interaction and the defense ST:STUDY_SUMMARY system of the caterpillar. Therefore, seven days after D. fovealis caterpillars ST:STUDY_SUMMARY were inoculated with the B. bassiana consortium, the dead and surviving ST:STUDY_SUMMARY caterpillars were analyzed using GC-MS and LC-MS/MS. ST:INSTITUTE Universidade Federal do Paraná ST:DEPARTMENT Patologia Básica ST:LABORATORY Laboratório de Microbiologia e Biologia Molecular ST:LAST_NAME Katiski da Costa Stuart ST:FIRST_NAME Andressa ST:ADDRESS Av. Cel. Francisco Heráclito dos Santos, 100, Curitiba, Paraná, 81530-000, ST:ADDRESS Brazil ST:EMAIL andressa.katiski@gmail.com ST:PHONE 55 41 991922779 ST:SUBMIT_DATE 2021-11-12 #SUBJECT SU:SUBJECT_TYPE Insect SU:SUBJECT_SPECIES Duponchelia fovealis #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - CatS_1 Factor:Control RAW_FILE_NAME=CatS_1; RAW_FILE_NAME=CatS_1_R001 CatS_1_R002 CatS_1_R003.; RAW_FILE_NAME=CatS_1_R001_NEG CatS_1_R002_NEG CatS_1_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatS_2 Factor:Control RAW_FILE_NAME=CatS_2; RAW_FILE_NAME=CatS_2_R001 CatS_2_R002 CatS_2_R003.; RAW_FILE_NAME=CatS_2_R001_NEG CatS_2_R002_NEG CatS_2_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatS_3 Factor:Control RAW_FILE_NAME=CatS_3; RAW_FILE_NAME=CatS_3_R001 CatS_3_R002 CatS_3_R003.; RAW_FILE_NAME=CatS_3_R001_NEG CatS_3_R002_NEG CatS_3_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatS_4 Factor:Control RAW_FILE_NAME=CatS_4; RAW_FILE_NAME=CatS_4_R001 CatS_4_R002 CatS_4_R003.; RAW_FILE_NAME=CatS_4_R001_NEG CatS_4_R002_NEG CatS_4_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatS_5 Factor:Control RAW_FILE_NAME=CatS_5; RAW_FILE_NAME=CatS_5_R001 CatS_5_R002 CatS_5_R003.; RAW_FILE_NAME=CatS_5_R001_NEG CatS_5_R002_NEG CatS_5_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatM_Bov2_1 Factor:Duponchelia fovealis killed by the Bov2 strain of Beauveria bassiana RAW_FILE_NAME=CatM_Bov2_1; RAW_FILE_NAME=CatM_Bov2_1_R001 CatM_Bov2_1_R002 CatM_Bov2_1_R003 CatM_Bov2_1_R004.; RAW_FILE_NAME=CatM_Bov2_1_R001_NEG CatM_Bov2_1_R002_NEG CatM_Bov2_1_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatM_Bov2_2 Factor:Duponchelia fovealis killed by the Bov2 strain of Beauveria bassiana RAW_FILE_NAME=CatM_Bov2_2; RAW_FILE_NAME=CatM_Bov2_2_R001 CatM_Bov2_2_R002 CatM_Bov2_2_R003 CatM_Bov2_2_R004.; RAW_FILE_NAME=CatM_Bov2_2_R001_NEG CatM_Bov2_2_R002_NEG CatM_Bov2_2_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatM_Bov2_3 Factor:Duponchelia fovealis killed by the Bov2 strain of Beauveria bassiana RAW_FILE_NAME=CatM_Bov2_3; RAW_FILE_NAME=CatM_Bov2_3_R001 CatM_Bov2_3_R002 CatM_Bov2_3_R003 CatM_Bov2_3_R004.; RAW_FILE_NAME=CatM_Bov2_3_R001_NEG CatM_Bov2_3_R002_NEG CatM_Bov2_3_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatM_Bov2_4 Factor:Duponchelia fovealis killed by the Bov2 strain of Beauveria bassiana RAW_FILE_NAME=CatM_Bov2_4; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - CatM_Bov2_5 Factor:Duponchelia fovealis killed by the Bov2 strain of Beauveria bassiana RAW_FILE_NAME=CatM_Bov2_5; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - CatM_Bov3_1 Factor:Duponchelia fovealis killed by the Bov3 strain of Beauveria bassiana RAW_FILE_NAME=CatM_Bov3_1; RAW_FILE_NAME=CatM_Bov3_1_R001 CatM_Bov3_1_R002 CatM_Bov3_1_R003 CatM_Bov3_1_R004.; RAW_FILE_NAME=CatM_Bov3_1_R001_NEG CatM_Bov3_1_R002_NEG CatM_Bov3_1_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatM_Bov3_2 Factor:Duponchelia fovealis killed by the Bov3 strain of Beauveria bassiana RAW_FILE_NAME=CatM_Bov3_2; RAW_FILE_NAME=CatM_Bov3_2_R001 CatM_Bov3_2_R002 CatM_Bov3_2_R003 CatM_Bov3_2_R004.; RAW_FILE_NAME=CatM_Bov3_2_R001_NEG CatM_Bov3_2_R002_NEG CatM_Bov3_2_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatM_Bov3_3 Factor:Duponchelia fovealis killed by the Bov3 strain of Beauveria bassiana RAW_FILE_NAME=CatM_Bov3_3; RAW_FILE_NAME=CatM_Bov3_3_R001 CatM_Bov3_3_R002 CatM_Bov3_3_R003 CatM_Bov3_3_R004.; RAW_FILE_NAME=CatM_Bov3_3_R001_NEG CatM_Bov3_3_R002_NEG CatM_Bov3_3_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatM_Bov3_4 Factor:Duponchelia fovealis killed by the Bov3 strain of Beauveria bassiana RAW_FILE_NAME=CatM_Bov3_4; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - CatM_Bov3_5 Factor:Duponchelia fovealis killed by the Bov3 strain of Beauveria bassiana RAW_FILE_NAME=CatM_Bov3_5; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - CatM_Cons_1 Factor:Duponchelia fovealis killed by the consortium RAW_FILE_NAME=CatM_Cons_1; RAW_FILE_NAME=CatM_Cons_1_R001 CatM_Cons_1_R002 CatM_Cons_1_R003 CatM_Cons_1_R004.; RAW_FILE_NAME=CatM_Cons_1_R001_NEG CatM_Cons_1_R002_NEG CatM_Cons_1_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatM_Cons_2 Factor:Duponchelia fovealis killed by the consortium RAW_FILE_NAME=CatM_Cons_2; RAW_FILE_NAME=CatM_Cons_2_R001 CatM_Cons_2_R002 CatM_Cons_2_R003 CatM_Cons_2_R004.; RAW_FILE_NAME=CatM_Cons_2_R001_NEG CatM_Cons_2_R002_NEG CatM_Cons_2_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatM_Cons_3 Factor:Duponchelia fovealis killed by the consortium RAW_FILE_NAME=CatM_Cons_3; RAW_FILE_NAME=CatM_Cons_3_R001 CatM_Cons_3_R002 CatM_Cons_3_R003 CatM_Cons_3_R004.; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - CatM_Cons_4 Factor:Duponchelia fovealis killed by the consortium RAW_FILE_NAME=CatM_Cons_4; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - CatM_Cons_5 Factor:Duponchelia fovealis killed by the consortium RAW_FILE_NAME=CatM_Cons_5; RAW_FILE_NAME=-; RAW_FILE_NAME=- SUBJECT_SAMPLE_FACTORS - CatS_Bov2_1 Factor:Duponchelia fovealis that survived the application of the Bov 2 strain of Beauveria bassiana RAW_FILE_NAME=CatS_Bov2_1; RAW_FILE_NAME=CatS_Bov2_1_R001 CatS_Bov2_1_R002 CatS_Bov2_1_R003.; RAW_FILE_NAME=CatS_Bov2_1_R001_NEG CatS_Bov2_1_R002_NEG CatS_Bov2_1_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatS_Bov2_2 Factor:Duponchelia fovealis that survived the application of the Bov 2 strain of Beauveria bassiana RAW_FILE_NAME=CatS_Bov2_2; RAW_FILE_NAME=CatS_Bov2_2_R001 CatS_Bov2_2_R002 CatS_Bov2_2_R003.; RAW_FILE_NAME=CatS_Bov2_2_R001_NEG CatS_Bov2_2_R002_NEG CatS_Bov2_2_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatS_Bov2_3 Factor:Duponchelia fovealis that survived the application of the Bov 2 strain of Beauveria bassiana RAW_FILE_NAME=CatS_Bov2_3; RAW_FILE_NAME=CatS_Bov2_3_R001 CatS_Bov2_3_R002 CatS_Bov2_3_R003.; RAW_FILE_NAME=CatS_Bov2_3_R001_NEG CatS_Bov2_3_R002_NEG CatS_Bov2_3_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatS_Bov2_4 Factor:Duponchelia fovealis that survived the application of the Bov 2 strain of Beauveria bassiana RAW_FILE_NAME=CatS_Bov2_4; RAW_FILE_NAME=CatS_Bov2_4_R001 CatS_Bov2_4_R002 CatS_Bov2_4_R003.; RAW_FILE_NAME=CatS_Bov2_4_R001_NEG CatS_Bov2_4_R002_NEG CatS_Bov2_4_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatS_Bov2_5 Factor:Duponchelia fovealis that survived the application of the Bov 2 strain of Beauveria bassiana RAW_FILE_NAME=CatS_Bov2_5; RAW_FILE_NAME=CatS_Bov2_5_R001 CatS_Bov2_5_R002 CatS_Bov2_5_R003.; RAW_FILE_NAME=CatS_Bov2_5_R001_NEG CatS_Bov2_5_R002_NEG CatS_Bov2_5_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatS_Bov3_1 Factor:Duponchelia fovealis that survived the application of the Bov 3 strain of Beauveria bassiana RAW_FILE_NAME=CatS_Bov3_1; RAW_FILE_NAME=CatS_Bov3_1_R001 CatS_Bov3_1_R002 CatS_Bov3_1_R003.; RAW_FILE_NAME=CatS_Bov3_1_R001_NEG CatS_Bov3_1_R002_NEG CatS_Bov3_1_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatS_Bov3_2 Factor:Duponchelia fovealis that survived the application of the Bov 3 strain of Beauveria bassiana RAW_FILE_NAME=CatS_Bov3_2; RAW_FILE_NAME=CatS_Bov3_2_R001 CatS_Bov3_2_R002 CatS_Bov3_2_R003.; RAW_FILE_NAME=CatS_Bov3_2_R001_NEG CatS_Bov3_2_R002_NEG CatS_Bov3_2_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatS_Bov3_3 Factor:Duponchelia fovealis that survived the application of the Bov 3 strain of Beauveria bassiana RAW_FILE_NAME=CatS_Bov3_3; RAW_FILE_NAME=CatS_Bov3_3_R001 CatS_Bov3_3_R002 CatS_Bov3_3_R003.; RAW_FILE_NAME=CatS_Bov3_3_R001_NEG CatS_Bov3_3_R002_NEG CatS_Bov3_3_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatS_Bov3_4 Factor:Duponchelia fovealis that survived the application of the Bov 3 strain of Beauveria bassiana RAW_FILE_NAME=CatS_Bov3_4; RAW_FILE_NAME=CatS_Bov3_4_R001 CatS_Bov3_4_R002 CatS_Bov3_4_R003.; RAW_FILE_NAME=CatS_Bov3_4_R001_NEG CatS_Bov3_4_R002_NEG CatS_Bov3_4_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatS_Bov3_5 Factor:Duponchelia fovealis that survived the application of the Bov 3 strain of Beauveria bassiana RAW_FILE_NAME=CatS_Bov3_5; RAW_FILE_NAME=CatS_Bov3_5_R001 CatS_Bov3_5_R002 CatS_Bov3_5_R003.; RAW_FILE_NAME=CatS_Bov3_5_R001_NEG CatS_Bov3_5_R002_NEG CatS_Bov3_5_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatS_Cons_1 Factor:Duponchelia fovealis that survived the application of the consortium RAW_FILE_NAME=CatS_Cons_1; RAW_FILE_NAME=CatS_Cons_1_R001 CatS_Cons_1_R002 CatS_Cons_1_R003.; RAW_FILE_NAME=CatS_Cons_1_R001_NEG CatS_Cons_1_R002_NEG CatS_Cons_1_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatS_Cons_2 Factor:Duponchelia fovealis that survived the application of the consortium RAW_FILE_NAME=CatS_Cons_2; RAW_FILE_NAME=CatS_Cons_2_R001 CatS_Cons_2_R002 CatS_Cons_2_R003.; RAW_FILE_NAME=CatS_Cons_2_R001_NEG CatS_Cons_2_R002_NEG CatS_Cons_2_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatS_Cons_3 Factor:Duponchelia fovealis that survived the application of the consortium RAW_FILE_NAME=CatS_Cons_3; RAW_FILE_NAME=CatS_Cons_3_R001 CatS_Cons_3_R002 CatS_Cons_3_R003.; RAW_FILE_NAME=CatS_Cons_3_R001_NEG CatS_Cons_3_R002_NEG CatS_Cons_3_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatS_Cons_4 Factor:Duponchelia fovealis that survived the application of the consortium RAW_FILE_NAME=-; RAW_FILE_NAME=CatS_Cons_4_R001 CatS_Cons_4_R002 CatS_Cons_4_R003.; RAW_FILE_NAME=CatS_Cons_4_R001_NEG CatS_Cons_4_R002_NEG CatS_Cons_4_R003_NEG. SUBJECT_SAMPLE_FACTORS - CatS_Cons_5 Factor:Duponchelia fovealis that survived the application of the consortium RAW_FILE_NAME=-; RAW_FILE_NAME=CatS_Cons_5_R001 CatS_Cons_5_R002 CatS_Cons_5_R003.; RAW_FILE_NAME=CatS_Cons_5_R001_NEG CatS_Cons_5_R002_NEG CatS_Cons_5_R003_NEG. #COLLECTION CO:COLLECTION_SUMMARY Groups of 10 third instar caterpillars were placed on strawberry leaves and CO:COLLECTION_SUMMARY sprayed with 1 mL of B. bassiana conidia-suspension: 2 x 107 conidia/mL in 0.85% CO:COLLECTION_SUMMARY saline solution with Tween 80® adhesive spreader added. Therefore, the CO:COLLECTION_SUMMARY treatments applied were: control caterpillars (consisting only of 0.85% saline CO:COLLECTION_SUMMARY solution and Tween 80®), caterpillars inoculated with Bov 3 strain of B. CO:COLLECTION_SUMMARY bassiana, caterpillars inoculated with Bov 2 strain of B. bassiana and CO:COLLECTION_SUMMARY caterpillars inoculated with the Bov3-Bov 2 consortium. On the seventh day, CO:COLLECTION_SUMMARY caterpillars that did not respond to the stimulus provided by the touch of a CO:COLLECTION_SUMMARY brush were considered dead. All caterpillars were identified as living or dead CO:COLLECTION_SUMMARY at the end of the seven days and were subsequently stored in a freezer at CO:COLLECTION_SUMMARY -80ºC. CO:COLLECTION_PROTOCOL_FILENAME Metabolite_Extraction CO:SAMPLE_TYPE Insect tissue CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY The treatments applied were: control caterpillars (consisting only of 0.85% TR:TREATMENT_SUMMARY saline solution and Tween 80®), caterpillars inoculated with Bov 3 strain of B. TR:TREATMENT_SUMMARY bassiana, caterpillars inoculated with Bov 2 strain of B. bassiana and TR:TREATMENT_SUMMARY caterpillars inoculated with the Bov3-Bov2 consortium. TR:TREATMENT_PROTOCOL_FILENAME Metabolite_Extraction TR:TREATMENT_DOSEVOLUME 2 x 10^7 conidia/mL #SAMPLEPREP SP:SAMPLEPREP_SUMMARY After the direct contact bioassay, the caterpillars were arranged by treatment, SP:SAMPLEPREP_SUMMARY then macerated in liquid nitrogen (N2). Extraction was performed with 200 mg of SP:SAMPLEPREP_SUMMARY the macerate added to a 1 mL microtube (Eppendorf, Germany) previously treated SP:SAMPLEPREP_SUMMARY with methanol. Following this, 125 μL of chloroform (CHCl3), 50 μL ultra-pure SP:SAMPLEPREP_SUMMARY water (H2O), and 250 μL cold methanol (CH3OH) were added to the macerate. The SP:SAMPLEPREP_SUMMARY microtubes were vigorously vortexed and placed in an ultrasonic bath SP:SAMPLEPREP_SUMMARY (Odontobrás, Ribeirão-SP) at 20 Hz and approximately 4ºC for 10 minutes. SP:SAMPLEPREP_SUMMARY Then, 50 μL of CHCl3 and 50 μL of H2O were added, and the tubes were vortexed SP:SAMPLEPREP_SUMMARY again. The samples were centrifuged (Eppendorf, Germany) for 5 minutes at 14000 SP:SAMPLEPREP_SUMMARY rpm and 4°C, and the supernatant was filtered on a Whatman® 0.22 µm filter SP:SAMPLEPREP_SUMMARY (Merck, Germany) and transferred to a glass vial. The vial was taken to a SP:SAMPLEPREP_SUMMARY lyophilizer (Thermo Fischer Scientific, MA) until the samples had completely SP:SAMPLEPREP_SUMMARY dried. Finally, the lyophilized samples were resuspended in 200 µL of SP:SAMPLEPREP_SUMMARY extraction solution and aliquoted for use in the GC-MS and LC-MS/MS. SP:SAMPLEPREP_PROTOCOL_FILENAME Metabolite_Extraction SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:METHODS_FILENAME Metabolomics_Methods CH:INSTRUMENT_NAME Agilent 7890A CH:COLUMN_NAME Agilent DB-5 (20m x 0.18mm, 0.18um); Restek RX-T 17 (0.9m x 0.10mm, 0.10um) CH:COLUMN_TEMPERATURE 70 - 320 ºC CH:FLOW_RATE 1 mL.min-1 CH:INJECTION_TEMPERATURE 280 ºC CH:SAMPLE_INJECTION 1 uL CH:OVEN_TEMPERATURE 70°C for 2 min, increasing by 15°C·min-1 until it reached 320°C and then CH:OVEN_TEMPERATURE held at this temperature for 4 min. CH:CHROMATOGRAPHY_TYPE GC #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE metabolomics_methods.pdf #MS MS:INSTRUMENT_NAME Leco Pegasus 4D GCxGC TOF MS:INSTRUMENT_TYPE GC x GC-TOF MS:MS_TYPE EI MS:MS_COMMENTS Data from GC-MS was processed using ChromaTOF 4.32 software to conduct baseline MS:MS_COMMENTS correction, deconvolution, retention index (RI), retention time correction (RT), MS:MS_COMMENTS identification, and alignment of peaks. NIST library version 11 was used for the MS:MS_COMMENTS identification of metabolites. Only metabolites with a score of 700 or above MS:MS_COMMENTS were considered. The intensity of each metabolite was normalized by the total MS:MS_COMMENTS ion count (TIC) of each sample. Statistical analyses were performed using the MS:MS_COMMENTS MetaboAnalyst 4.0 online software (available at MS:MS_COMMENTS http://www.metaboanalyst.ca/MetaboAnalyst/) MS:ION_MODE UNSPECIFIED MS:FRAGMENTATION_METHOD EI MS:ION_SOURCE_TEMPERATURE 250 ºC MS:IONIZATION_ENERGY 70 eV #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples CatS_1 CatS_2 CatS_3 CatS_4 CatS_5 CatS_Bov2_1 CatS_Bov2_2 CatS_Bov2_3 CatS_Bov2_4 CatS_Bov2_5 CatS_Bov3_1 CatS_Bov3_2 CatS_Bov3_3 CatS_Bov3_4 CatS_Bov3_5 CatS_Cons_1 CatS_Cons_2 CatS_Cons_3 Factors Factor:Control Factor:Control Factor:Control Factor:Control Factor:Control Factor:Duponchelia fovealis that survived the application of the Bov 2 strain of Beauveria bassiana Factor:Duponchelia fovealis that survived the application of the Bov 2 strain of Beauveria bassiana Factor:Duponchelia fovealis that survived the application of the Bov 2 strain of Beauveria bassiana Factor:Duponchelia fovealis that survived the application of the Bov 2 strain of Beauveria bassiana Factor:Duponchelia fovealis that survived the application of the Bov 2 strain of Beauveria bassiana Factor:Duponchelia fovealis that survived the application of the Bov 3 strain of Beauveria bassiana Factor:Duponchelia fovealis that survived the application of the Bov 3 strain of Beauveria bassiana Factor:Duponchelia fovealis that survived the application of the Bov 3 strain of Beauveria bassiana Factor:Duponchelia fovealis that survived the application of the Bov 3 strain of Beauveria bassiana Factor:Duponchelia fovealis that survived the application of the Bov 3 strain of Beauveria bassiana Factor:Duponchelia fovealis that survived the application of the consortium Factor:Duponchelia fovealis that survived the application of the consortium Factor:Duponchelia fovealis that survived the application of the consortium 1_2_3-Butanetriol 0.9266 0.3637 0.0421 0.8932 0.0056 1_3-Butanediol 0.3369 0.5066 0.4720 1.0190 1.0346 0.2280 1.4685 0.2115 0.3063 0.5541 0.6616 1.0395 0.7206 0.4919 2.0045 0.5346 0.4961 1_3-Dioxolane-2-methanol 0.0169 1.9724 0.1350 1_4-lactone_ Allonic acid 0.7343 0.3537 0.5843 1-Hydroxy-3-methoxy-6-methylanthraquinone 0.0034 0.0937 0.0001 1-Monopalmitin 2.8357 4.5870 3.2158 5.5554 5.6553 2.7012 4.3693 4.9750 3.6217 4.0871 4.7893 7.4273 9.1725 6.5378 8.8590 3.4837 4.3257 6.0256 2_5-Dimethoxymandelic acid 6.8011 7.7477 9.2594 0.3286 0.0081 1.9023 1.7737 0.0155 0.0258 0.4725 4.8638 7.2182 7.1584 3.5106 2-Deoxy-erythro-pentonic acid 1.8690 1.4456 17.1410 2-Hydroxyglutaric acid 10.5169 7.1302 6.4137 13.3574 6.2935 3.6767 2.2653 1.0210 2.9535 2.5780 10.4319 0.9851 1.6734 1.9380 3.4583 7.9182 0.4419 2.9295 2-Keto-d-gluconic acid 1.8932 0.1084 0.6009 0.2440 0.4473 1.1171 0.9474 0.0737 0.1028 0.0919 0.1008 0.0535 0.1091 0.8662 1.5841 2-Ketoglutaric acid 0.2564 2.0203 1.2218 1.1627 1.7557 0.9735 1.4448 1.5738 1.5729 0.3181 0.7521 2-Ketovaleric acid 52.8974 0.9066 6.8604 0.0377 0.2885 2-methyl-Propanetriol 0.4026 1.1044 1.0495 2-O-Glycerol-alpha-d-galactopyranoside 0.0361 0.1363 2-oxo-Propanoic acid 0.1140 0.2868 0.3304 0.3156 14.9724 1.1980 0.6993 0.9355 0.4220 0.7795 2-Palmitoylglycerol 0.1146 0.1802 0.2186 0.2142 0.1388 0.1611 0.2259 0.2656 0.3531 0.6520 0.2875 1.0330 2-pyrrolidinone 0.0368 0.0901 0.0687 0.0317 0.0369 0.0004 0.0006 0.0431 0.0457 0.0461 0.0127 0.0220 0.0062 4-Aminobutanoic acid 2.6836 10.3400 1.8791 30.4098 52.3018 4.6316 17.9563 6.6925 1.3105 1.0574 4-Hydroxybenzoic acid 0.0006 0.1006 0.0002 5-Methyluridine 0.3134 0.5708 0.3709 0.3907 0.2204 0.5270 0.6435 0.3907 0.6790 1.0992 6-Fluoro-alpha-methyltryptamine 0.0262 12.9954 0.0417 0.0684 0.1468 0.0279 Acetic acid 0.3342 0.4987 0.5039 0.5567 0.5087 0.2445 0.5576 0.5201 0.3542 0.3723 0.5069 0.5846 0.7632 0.5278 0.6817 0.4939 0.3059 0.3115 Adenine 0.1792 0.8907 0.8530 0.7404 0.9721 0.9492 0.9492 1.2222 1.0575 1.1146 1.0069 1.6083 2.0287 1.2256 1.3700 10.6006 6.3191 Adenosine 0.1757 0.2747 0.1845 0.0828 0.1087 0.1927 0.1245 0.0999 0.0567 0.0434 0.0575 0.0762 0.1086 0.0564 0.0732 0.0753 0.2125 0.1709 Adenosine-5^-monophosphate 0.0606 0.7736 0.7962 0.3814 0.1709 0.4273 0.5921 0.7987 0.7455 0.4158 0.4177 0.8680 1.1365 0.6579 0.7668 0.1809 0.0852 1.7821 Adrenaline 15.8978 0.1364 0.0507 Alanine 18.8070 38.1610 46.1511 42.3910 58.2661 23.7784 30.8196 32.8480 29.3374 34.8021 51.1766 31.9813 38.7121 26.2741 12.7957 23.7817 17.9448 22.7773 alpha-D-Mannopyranose 40.9824 32.9123 31.8161 65.2203 80.3984 59.5859 126.6472 54.8963 110.9773 57.8675 73.8541 55.9956 67.6063 128.5631 61.8692 115.4547 52.4410 alpha-D-(+)-Talopyranose 7.2023 0.9064 1.6878 3.4028 1.7082 7.2623 4.4111 9.2021 8.4652 8.7643 0.9625 4.6344 5.2795 12.5810 5.0824 24.2761 3.4012 8.3168 alpha-Linolenic acid 0.7918 0.6254 2.4942 alpha-Methyl-L-tyrosine 0.1061 0.0922 0.0590 0.0631 0.1495 0.2398 0.0760 0.1450 0.1963 0.1666 0.1152 0.0679 Aminomalonic acid 0.7718 1.3779 0.8933 0.8625 0.7058 2.8315 0.6464 2.2128 3.1933 4.0344 4.8896 2.0292 2.9385 1.2632 2.4703 0.1627 0.0576 Asparagine 2.3962 7.2432 4.1399 2.2068 2.8955 5.0622 0.3792 0.5296 2.5717 4.1046 1.9220 0.0488 0.1796 0.7385 0.2554 0.3040 Aucubin 0.1411 0.0607 0.2184 1.1278 1.1515 0.0279 1.4982 1.6567 1.1313 0.6389 0.9162 1.0062 1.2450 1.5335 1.5452 0.9039 3.7197 1.6120 beta-D-Fructofuranose phosphate 1.1832 1.8447 0.8274 1.5316 0.8277 0.8381 0.7183 0.5440 beta-Hydroxypyruvic acid 2.2084 0.6627 9.7039 0.1581 beta-L-Arabinopyranose 2.3962 0.0867 0.0614 0.3326 0.1032 beta-L-(-)-Fucopyranose 0.3124 0.4329 0.3360 0.4328 Butanedioic acid 28.7528 38.7969 34.8257 32.7100 22.1845 11.7347 15.0124 47.5081 6.7655 11.3059 28.3838 23.1393 24.8231 24.0749 36.4831 11.4162 11.2649 20.3266 Caffeic acid 0.0169 0.0211 0.0161 0.0153 0.0145 0.0141 0.0207 0.0273 Citric acid 20.3937 62.5770 24.1219 42.4893 23.3821 29.0254 12.8312 6.7580 47.5577 46.1120 14.8087 20.7480 10.2529 8.9851 28.0959 38.1316 23.5148 13.9230 Cystathionine 0.1895 0.3274 0.1658 0.5935 0.8017 1.0845 1.2340 0.9003 0.7213 0.3311 0.1355 Cysteine 0.4026 1.1044 1.0495 0.4864 0.7543 0.9864 1.4011 0.6098 0.8010 0.4987 0.2292 D-2-Aminobutyric acid 0.0365 0.2810 Deoxyglucose 0.6104 0.5736 0.7747 0.0928 2.6665 0.0337 0.1637 0.1883 16.9773 D-(-)- Erythrofuranose 14.6861 5.1353 43.5559 D-Erythrotetrofuranose 4.8566 1.8690 2.1160 1.9325 1.9315 2.1645 2.5930 3.2177 2.0992 2.3006 4.1406 2.3112 D-(-)-Fructofuranose 10.5466 26.4324 3.2852 15.5212 19.5775 21.1920 D-Fructose phosphate 1.2161 0.7780 0.8153 D-(+)-Galactopyranose 0.1328 0.0859 6.9167 0.5868 7.4166 0.2424 5.5702 0.4655 0.0878 D-Galactose 0.0853 2.5954 0.1092 1.5472 0.3848 2.0685 1.3352 1.3629 2.1971 3.0720 4.9411 0.4883 1.2978 0.9329 0.7036 4.1262 4.7826 D-(+)-Galacturonic acid 6.9025 0.6117 0.5217 0.5948 0.2832 1.6857 0.0586 0.1154 0.5113 0.4940 0.5250 0.3452 0.3685 0.3388 0.2742 0.2586 0.3159 0.0255 Diisooctyl phthalate 0.3232 0.2681 0.3630 0.2865 0.2259 0.2623 0.3062 0.2345 0.2504 0.2789 0.2826 0.3445 0.2892 0.3752 0.2875 0.3476 0.9777 D-Mannopyranose phosphate 0.5564 2.6169 1.5347 0.4937 2.3181 0.4738 2.3733 1.6202 0.5975 2.7766 1.0260 4.6409 2.1618 3.9899 3.8061 D-Mannose 0.5149 1.5121 0.3098 2.3799 0.5463 0.3780 0.7611 1.9396 1.5374 3.4862 D-(-)-Tagatofuranose 0.7343 1.1950 2.3169 1.2164 2.4937 3.2199 0.0418 0.4285 D-(+)-Talofuranose 3.9390 4.9863 4.3542 8.4738 6.3128 3.4027 5.6973 9.2945 4.5741 6.7876 7.4301 7.0891 12.4395 5.8797 10.0020 6.8621 7.9314 7.1491 D-Xylopyranose 0.8246 1.1206 1.2718 1.1519 0.6979 0.2996 2.2183 0.9631 5.4371 0.4708 0.3365 6.8144 2.5178 0.7616 1.3534 9.2825 4.2473 1.6185 D-Xylose 0.0500 3.5106 Erythronic acid 0.7563 1.4390 2.0060 0.6817 0.7149 0.7844 0.6026 0.8032 0.4833 Ethanimidic acid 0.6455 0.5757 0.4419 0.1931 0.1665 0.6178 0.4045 0.1921 Ethyl .alpha.-D-glucopyranoside 0.7102 12.7633 1.2303 3.9964 1.5388 0.7641 2.3037 5.0256 0.9743 0.5788 0.7010 0.7781 11.4491 1.9320 1.0882 50.5202 7.0359 2.7749 Formamide 35.0891 0.8059 0.3060 1.4556 1.8524 2.6420 0.9847 0.6486 2.5895 2.3451 3.1214 1.9905 0.7716 Fumaric acid 4.0280 3.9739 2.2121 1.7892 2.1982 2.4701 1.1605 0.2350 1.7372 1.9887 1.9991 0.1263 1.7699 1.4428 4.7951 2.9098 Galactaric acid 1.5268 1.3398 0.9741 1.0714 0.4958 0.9474 0.6136 0.6492 1.0066 1.3432 1.9298 1.3045 1.4218 8.1236 1.0733 4.8908 Gallic acid 0.8871 0.9594 0.6678 1.3055 1.1652 0.6781 0.8883 0.9277 0.8527 0.9176 1.1609 1.3622 1.5491 1.0253 1.3800 0.4941 1.1502 Gluconic acid 0.1134 0.2213 0.0884 Glucopyranose 73.0407 48.9000 10.6718 109.3753 105.6954 64.7813 42.2448 84.0269 42.0216 32.9476 11.9132 100.4763 57.1399 130.9733 34.2322 75.3384 Glucopyranose phosphate 1.3666 0.8157 2.2556 2.0954 1.5977 3.5687 0.0447 0.9458 Glucuronic acid 0.3531 0.3990 1.7737 0.4500 0.5287 4.8901 0.0002 0.3810 Glyceric acid 3.7133 2.4540 2.4724 1.7526 1.6959 1.4598 0.5708 1.2849 1.0236 1.2806 2.2084 1.8182 2.8676 1.5617 1.3862 1.4783 1.1462 1.7222 Glycerol 142.6680 148.8675 32.0766 82.5771 116.5245 67.2324 65.2778 22.0729 35.7443 16.8842 77.6970 113.2639 48.0833 78.7477 189.8640 138.7405 71.1815 Glycerol-3-phosphate 17.4900 3.3331 22.9019 35.7041 19.9565 33.6328 37.5571 40.2695 28.0478 125.6190 33.6724 9.2976 41.2957 6.2021 47.6216 13.7788 65.7664 Glycerol monostearate 0.6550 0.9774 0.5672 0.7626 0.6555 0.8115 0.5327 0.5317 0.7307 0.7206 0.8095 0.6856 0.8173 0.7269 0.7410 0.5653 0.6741 0.6893 Glyceryl-glycoside 8.5867 7.7749 5.8845 27.1028 19.2677 9.5599 25.1720 28.7713 11.2107 11.9155 12.5988 17.4478 21.8833 14.1695 18.9585 18.2388 15.6783 22.1048 Glycine 35.2586 42.0113 76.0847 13.0173 14.1545 13.5582 32.6806 14.7741 25.0791 12.8691 33.8249 14.6200 16.9312 45.6122 16.6610 29.0282 29.4026 1.0598 Guanine 0.0527 0.0907 0.0606 0.4475 0.3625 0.2989 0.2216 0.2288 0.3032 0.2789 0.3882 0.3485 0.3378 0.3821 0.3700 0.3448 0.4285 Guanosine 0.8694 1.1841 0.9843 1.0655 0.5357 0.6856 1.3370 1.4614 0.5705 0.6002 0.5911 0.9773 1.2066 0.8861 1.1361 0.8519 0.9927 1.0043 Gulonic acid 28.8197 23.2225 18.0041 89.4741 93.5975 80.7634 26.1924 68.4092 92.6618 56.6091 123.4614 31.7971 15.0266 112.0890 68.1303 56.3983 73.5504 87.3707 Hypoxanthine 0.2627 0.0002 0.0214 32.2905 26.4561 1.7829 26.0931 26.8449 3.3331 29.1722 4.0072 56.4077 27.3686 52.6072 26.8243 2.1488 1.7944 Inosine 1.6041 4.2129 2.2863 4.0037 4.6192 2.7179 5.0998 6.3612 3.7765 4.3208 4.1428 5.8197 6.8097 5.0351 7.0188 4.7413 4.1905 6.2397 Isoxanthopterin 0.0446 0.0896 0.5234 0.0535 0.0700 0.0604 0.0547 0.0760 0.0959 0.1175 0.0764 0.0791 0.4622 0.5033 Lactic acid 6.1651 5.9898 4.5073 29.9880 3.5469 2.0639 2.1493 2.3860 1.8893 1.9677 4.3608 3.3224 4.5110 6.3701 5.0700 4.6548 1.2757 5.4685 Lanthionine 2.2010 3.9116 2.0852 24.2588 6.8272 5.9480 5.9214 5.1286 5.5994 6.3274 7.5076 10.1079 22.5551 7.6520 8.8122 1.9727 6.0883 1.9223 L-(-)-Arabitol 1.1622 1.0349 1.2295 L-Aspartic acid 7.3436 5.3811 6.7257 4.9838 9.0248 7.2447 7.7269 9.2545 3.3962 13.6972 5.0524 0.5717 3.2777 2.9792 9.1167 4.3552 3.1906 1.9521 Levoglucosan 0.1797 0.7967 0.5097 0.3525 0.2296 0.2158 1.3756 1.7161 L-fucose 3.7424 0.0855 0.7481 0.7669 0.8310 1.7601 0.2060 0.7576 0.8079 0.9866 0.2887 0.1362 0.0466 0.7512 1.6675 0.0641 1.0466 L-Glutamic acid 8.1025 10.1900 8.7115 4.0207 0.7057 6.2164 2.9208 2.2131 6.5776 7.4426 7.9070 1.0370 3.3095 2.2953 2.2912 17.2463 3.9803 4.6049 l-Glutamine 116.1729 100.6617 18.3735 10.4726 6.0904 20.6488 21.9575 12.5447 33.1757 19.9346 19.9594 30.7983 38.8857 14.3378 10.5063 24.9939 5.7300 L-Histidine 16.2706 9.5662 14.1236 26.2000 34.3726 22.0046 13.4281 16.7791 23.0492 20.8868 51.0431 0.0385 0.2121 22.8893 30.0558 2.9042 9.4037 29.3485 L-Homocystine_ [S-(R*_R*)]- 0.7109 0.4995 0.6126 L-Homoserine 0.1214 0.2777 0.2046 0.1116 0.1090 0.0974 0.1044 0.0936 0.0934 0.0375 0.0533 L-Isoleucine 6.7775 4.7193 134.6724 36.3829 3.3278 6.9019 12.8158 7.1363 4.4284 4.2005 9.4375 10.5545 23.3548 2.8007 1.6217 7.9394 7.8004 L-Leucine 0.8941 0.0351 1.7730 0.5574 0.0679 1.0202 1.7221 0.4396 0.6178 0.1054 0.7986 0.9305 0.9234 2.1132 1.3541 1.1125 3.2297 L-Lysine 13.8449 7.7156 11.9494 20.6074 18.9336 28.9048 30.3912 25.4879 26.6033 27.5248 27.3357 33.8483 17.4429 20.0681 20.3495 L-Proline 17.9438 22.5685 20.0795 20.4456 13.5009 20.3850 24.6465 24.7475 12.8137 13.1309 29.1890 24.4076 25.6719 16.7115 20.5785 19.8486 22.5982 44.9923 L-(+)-Tartaric acid 0.0764 0.1983 L-Threitol 1.2236 0.8151 L-Threonic acid 1.1357 0.4831 0.8589 L-threonine 23.6624 25.7848 22.2535 20.2016 27.2241 21.8713 10.5395 12.4494 22.8693 22.4321 22.5425 29.2804 10.6149 27.8476 14.5865 20.7874 19.4521 29.1193 L-Tryptophan 0.9770 0.7986 0.6162 2.3716 1.3656 1.7023 1.3558 1.5856 1.6988 1.7088 1.8790 2.0747 2.4717 1.6799 1.8244 0.7641 1.3233 1.3126 Lyxose 0.3137 0.5354 0.7362 0.5611 0.5582 Malic acid 13.8359 11.9748 8.0409 8.4267 6.7630 13.0983 2.1610 2.5918 8.9310 9.5574 26.2136 12.1255 14.4883 5.2025 7.6530 17.3444 6.7923 10.6117 Mannitol 5.8643 3.6945 0.4855 1.3055 3.9044 0.9300 3.2450 4.7753 0.3095 3.4600 4.4469 3.4946 4.8193 0.5887 4.2399 meso-Erythritol 3.6027 6.9209 6.1514 0.4511 5.6016 4.8585 1.4479 2.7952 3.7395 2.1459 3.8946 0.7743 0.4533 1.1712 0.2328 0.4622 Methyl galactoside 1.5316 1.0221 15.8768 4.6214 3.3702 27.0463 11.3893 3.2841 1.2184 1.5269 20.0936 53.8729 2.6484 3.6199 5.5156 4.7209 1.3229 1.0768 Methylmaleic acid 0.0102 23.3806 24.0320 Methyl phosphate 11.1622 21.9164 22.6433 21.7990 20.3625 13.7640 31.8136 27.3852 16.1962 41.6174 19.7612 55.7854 37.2510 47.0319 32.3221 40.5798 4.4220 29.6768 Monostearin 2.8414 2.6878 3.5259 3.7093 3.4521 1.3542 1.8574 2.6420 1.8871 2.0100 2.4345 4.3647 5.2717 3.7976 4.9961 2.0350 3.4624 2.6700 Myo-Inositol 6.8495 0.3276 9.2495 4.2360 3.0284 16.6140 7.6589 3.0441 2.1639 2.1326 2.9820 3.3901 31.1145 2.8633 3.4694 1.0002 19.2793 4.6540 Myoinositol 1-phosphate 11.5149 22.5714 11.9204 52.5700 25.1368 14.6861 62.2158 56.2286 16.0143 16.2866 20.3276 49.3461 27.3172 42.5357 26.3559 20.3934 44.5085 24.2304 N-Acetyl-D-glucosamine 0.1122 2.0852 0.0604 0.0233 0.0224 5.5738 5.8365 0.0109 0.0145 7.5085 0.0745 N-alpha-Acetyl-L-Lysine 0.0080 0.2563 0.5022 0.0646 0.0694 0.0187 33.5485 0.6170 0.2994 0.8361 0.8919 2.1816 N-Methyl-L-prolinol 0.0005 0.0120 0.0028 0.0035 0.0174 0.0131 N-methyl-N-methoxycarbonyl-_ hexyl ester_ Alanine 0.0207 0.1727 0.1362 N-methyl-N-methoxycarbonyl-_ undecyl ester_ Alanine 8.1864 35.6147 0.0003 48.4997 0.6781 0.2522 0.0025 75.9768 81.6002 85.4314 6.6913 34.4158 7.6347 9.1002 0.1898 6.1148 33.1602 Oleamide 0.5236 0.5226 Oleanitrile 0.1492 0.1414 0.1617 0.2291 0.2571 0.3608 0.4331 0.3987 0.5440 Ornithine 0.9438 0.3384 1.3990 1.4041 1.4573 6.2114 6.0635 Oxalic acid 2.1174 11.9654 Palmitic Acid 3.3343 3.1922 4.0067 2.4994 3.3819 14.4624 15.6174 3.9445 Phenylalanine 3.2772 4.1012 1.7539 3.1966 3.1362 4.3674 2.6025 3.1509 3.9175 4.1879 4.6902 0.9630 0.9785 1.0949 1.6340 5.2088 2.0604 0.7566 Phenylpropanolamine 64.4845 19.7979 169.9426 21.9590 22.0341 99.5401 50.3920 10.3261 15.1417 14.1642 0.0626 1.5992 0.4794 3.4263 61.8726 0.7803 Phthalic acid 18.0720 0.0007 0.0001 Pipecolic acid 0.0044 0.0016 0.0003 0.0024 0.0018 0.0059 0.0049 7.3674 0.0037 0.0044 0.0141 0.0022 0.0028 0.0019 19.9970 0.8614 Propanedioic acid 0.0648 0.3942 0.0676 32.0918 0.7305 25.8289 0.0095 0.0238 0.0612 Pseudo uridine 0.0519 0.0257 0.0836 0.2426 0.1195 0.1169 0.0408 0.0867 0.0847 0.1010 0.1541 0.1682 0.0319 0.1287 0.1509 0.1066 0.2825 Putrescine 2.3329 2.8768 1.3515 2.0978 1.9424 5.6736 2.0363 0.9702 5.8909 5.5149 6.1668 2.4206 2.1148 2.0636 0.8888 0.8619 1.6025 3.0674 Pyroglutamic acid 33.9236 43.4910 35.7897 34.7448 58.3996 39.4656 48.1471 51.0260 99.2338 24.5183 29.2096 58.3978 60.2010 38.5197 71.5304 38.0931 37.7619 20.3103 Ribitol 36.0162 23.5862 44.2286 0.7981 21.3400 8.5460 4.8455 1.8794 8.2138 6.9174 11.6367 33.1500 19.4027 13.7220 3.3220 8.2445 3.7739 10.3917 Serine 26.7927 37.0594 37.4148 18.7602 23.6049 24.0198 18.1136 22.1836 20.7228 18.3288 24.6813 33.8642 47.8403 20.6475 24.9678 18.6756 56.9407 35.1845 trans-9-Octadecenoic acid 0.2824 0.4330 0.5588 0.5477 2.6035 1.4440 Tyrosine 1.0366 0.5576 2.3482 0.7158 1.8211 0.2793 0.2825 0.4793 0.4377 0.6042 0.2705 0.6538 0.1944 0.9345 0.1870 Uracil 1.2231 3.9739 2.2323 3.6284 0.8080 2.4701 1.1605 1.3980 1.3541 1.7372 1.9887 1.8690 1.9455 1.2833 1.4428 2.3328 4.1564 Urea 7.8300 5.0217 8.5180 2.9363 1.2349 1.1056 38.2976 75.4851 8.0600 10.0909 2.2183 4.4212 19.6903 46.3698 95.4915 9.5564 1.5252 16.3090 Uric acid 0.4866 0.5294 0.4663 0.7770 0.8999 0.6907 0.6386 0.9590 Uridine 0.1845 0.7946 0.4582 0.9882 0.7548 1.3031 1.4079 1.8052 1.3594 1.4087 1.1496 1.5577 1.7543 1.6058 1.7342 1.8770 0.7814 1.4190 Uridine-5^-monophosphate 0.2831 0.3102 0.2696 0.4389 0.3310 0.3614 0.5550 0.8055 0.6346 0.4010 0.4698 0.7738 0.9129 0.5304 0.6999 0.1621 0.2636 1.1182 Valine 9.8730 9.9413 7.5870 10.4517 13.3651 10.7613 10.7773 9.1932 10.2357 10.3426 13.7488 10.6912 12.5548 8.7297 10.0232 10.1713 5.2423 9.2581 Xylitol 49.5186 81.5231 75.7974 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 1,2,3-Butanetriol 1,3-Butanediol 1,3-Dioxolane-2-methanol 1,4-lactone, Allonic acid 1-Hydroxy-3-methoxy-6-methylanthraquinone 1-Monopalmitin 2,5-Dimethoxymandelic acid 2-Deoxy-erythro-pentonic acid 2-Hydroxyglutaric acid 2-Keto-d-gluconic acid 2-Ketoglutaric acid 2-Ketovaleric acid 2-methyl-Propanetriol 2-O-Glycerol-alpha-d-galactopyranoside 2-oxo-Propanoic acid 2-Palmitoylglycerol 2-pyrrolidinone 4-Aminobutanoic acid 4-Hydroxybenzoic acid 5-Methyluridine 6-Fluoro-alpha-methyltryptamine Acetic acid Adenine Adenosine Adenosine-5'-monophosphate Adrenaline Alanine alpha-D-Mannopyranose alpha-D-(+)-Talopyranose alpha-Linolenic acid alpha-Methyl-L-tyrosine Aminomalonic acid Asparagine Aucubin beta-D-Fructofuranose phosphate beta-Hydroxypyruvic acid beta-L-Arabinopyranose beta-L-(-)-Fucopyranose Butanedioic acid Caffeic acid Citric acid Cystathionine Cysteine D-2-Aminobutyric acid Deoxyglucose D-(-)- Erythrofuranose D-Erythrotetrofuranose D-(-)-Fructofuranose D-Fructose phosphate D-(+)-Galactopyranose D-Galactose D-(+)-Galacturonic acid Diisooctyl phthalate D-Mannopyranose phosphate D-Mannose D-(-)-Tagatofuranose D-(+)-Talofuranose D-Xylopyranose D-Xylose Erythronic acid Ethanimidic acid Ethyl .alpha.-D-glucopyranoside Formamide Fumaric acid Galactaric acid Gallic acid Gluconic acid Glucopyranose Glucopyranose phosphate Glucuronic acid Glyceric acid Glycerol Glycerol-3-phosphate Glycerol monostearate Glyceryl-glycoside Glycine Guanine Guanosine Gulonic acid Hypoxanthine Inosine Isoxanthopterin Lactic acid Lanthionine L-(-)-Arabitol L-Aspartic acid Levoglucosan L-fucose L-Glutamic acid l-Glutamine L-Histidine L-Homocystine, [S-(R*,R*)]- L-Homoserine L-Isoleucine L-Leucine L-Lysine L-Proline L-(+)-Tartaric acid L-Threitol L-Threonic acid L-threonine L-Tryptophan Lyxose Malic acid Mannitol meso-Erythritol Methyl galactoside Methylmaleic acid Methyl phosphate Monostearin Myo-Inositol Myoinositol 1-phosphate N-Acetyl-D-glucosamine N-alpha-Acetyl-L-Lysine N-Methyl-L-prolinol N-methyl-N-methoxycarbonyl-, hexyl ester, Alanine N-methyl-N-methoxycarbonyl-, undecyl ester, Alanine Oleamide Oleanitrile Ornithine Oxalic acid Palmitic Acid Phenylalanine Phenylpropanolamine Phthalic acid Pipecolic acid Propanedioic acid Pseudo uridine Putrescine Pyroglutamic acid Ribitol Serine trans-9-Octadecenoic acid Tyrosine Uracil Urea Uric acid Uridine Uridine-5'-monophosphate Valine Xylitol METABOLITES_END #END