#METABOLOMICS WORKBENCH kwanjeeraw_20230925_224801 DATATRACK_ID:4334 STUDY_ID:ST002902 ANALYSIS_ID:AN004761 PROJECT_ID:PR001806 VERSION 1 CREATED_ON October 2, 2023, 10:31 am #PROJECT PR:PROJECT_TITLE Quantitative analysis of nutrient metabolite compositions of retail cow’s milk PR:PROJECT_TITLE and milk alternatives in Thailand using GC-MS PR:PROJECT_TYPE MS quantitative analysis PR:PROJECT_SUMMARY To provide comprehensive metabolite profiles and their concentrations, this PR:PROJECT_SUMMARY study characterized retail cow’s milk and plant-based milk (soymilk and almond PR:PROJECT_SUMMARY milk) for amino acids (AA), fatty acids (FA), and sugars. The cow’s milk PR:PROJECT_SUMMARY samples included conventional milk with different heating processes and PR:PROJECT_SUMMARY lactose-free cow’s milk. Multivariate analysis was applied to identify pattern PR:PROJECT_SUMMARY associated with different types of milk. Principal component analysis (PCA) PR:PROJECT_SUMMARY indicated that the plant-based milk alternatives were markedly different from PR:PROJECT_SUMMARY cow’s milk samples. This was attributed mainly to FA, particularly C18:2n-6 PR:PROJECT_SUMMARY and C18:1 (cis-9) which were highest in soymilk and almond milk, respectively. PR:PROJECT_SUMMARY Unlike the cow’s milk samples, the plant-based milk samples exhibited greater PR:PROJECT_SUMMARY brand-to-brand variation in metabolite concentrations. The mean concentration of PR:PROJECT_SUMMARY total AA in soymilk samples was comparable to that in cow’s milk samples, but PR:PROJECT_SUMMARY the cow’s milk samples were 1.4–6.3 times more enriched in branched-chain PR:PROJECT_SUMMARY AA. There was no significant difference in AA and FA concentrations between PR:PROJECT_SUMMARY conventional and lactose-free cow’s milk. Heating processes of cow’s milk PR:PROJECT_SUMMARY did not result in distinct metabolite patterns. This study further showed that PR:PROJECT_SUMMARY FA profiling could be applied to evaluating soymilk adulteration with 1 %–2 % PR:PROJECT_SUMMARY cow’s milk. PR:INSTITUTE Mahidol University PR:DEPARTMENT Siriraj Metabolomics and Phenomics Center PR:LABORATORY Siriraj Center of Research Excellence in Metabolomics and Systems Biology PR:LAST_NAME Khoomrung PR:FIRST_NAME Sakda PR:ADDRESS 2 Wanglang Road, Bangkok, Bangkok, 10700, Thailand PR:EMAIL sakda.kho@mahidol.edu PR:PHONE 024195511 PR:PUBLICATIONS https://doi.org/10.1016/j.jfca.2020.103785 #STUDY ST:STUDY_TITLE Quantitative analysis of fatty acid compositions of retail cow’s milk and milk ST:STUDY_TITLE alternatives in Thailand using GC-MS ST:STUDY_SUMMARY All 36 brands of commercial milk samples available in retail stores in Thailand ST:STUDY_SUMMARY were collected in July 2019. They included 17 brands of whole cow’s milk, 6 ST:STUDY_SUMMARY brands of lactose-free cow’s milk, 9 brands of soymilk, and 4 brands of almond ST:STUDY_SUMMARY milk. Of all the cow’s milk samples, there were 6, 2, and 9 ultra-high ST:STUDY_SUMMARY temperature processing (UHT), sterilized, pasteurized milk samples, ST:STUDY_SUMMARY respectively. Quantification of fatty acids was performed using GC-MS. ST:INSTITUTE Mahidol University ST:DEPARTMENT Siriraj Metabolomics and Phenomics Center ST:LABORATORY Siriraj Center of Research Excellence in Metabolomics and Systems Biology ST:LAST_NAME Khoomrung ST:FIRST_NAME Sakda ST:ADDRESS 2 Wanglang Road, Bangkok, Bangkok, 10700, Thailand ST:EMAIL sakda.kho@mahidol.edu ST:PHONE 024195511 ST:NUM_GROUPS 5 ST:TOTAL_SUBJECTS 118 ST:PUBLICATIONS https://doi.org/10.1016/j.jfca.2020.103785 #SUBJECT SU:SUBJECT_TYPE Food item #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS 10 10.1 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=10.1.mzML SUBJECT_SAMPLE_FACTORS 10 10.2 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=10.2.mzML SUBJECT_SAMPLE_FACTORS 10 10.3 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=10.3.mzML SUBJECT_SAMPLE_FACTORS 11 11.1 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=11.1.mzML SUBJECT_SAMPLE_FACTORS 11 11.2 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=11.2.mzML SUBJECT_SAMPLE_FACTORS 11 11.3 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=11.3.mzML SUBJECT_SAMPLE_FACTORS 12 12.1 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=12.1.mzML SUBJECT_SAMPLE_FACTORS 12 12.2 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=12.2.mzML SUBJECT_SAMPLE_FACTORS 12 12.3 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=12.3.mzML SUBJECT_SAMPLE_FACTORS 13 13.1 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=13.1.mzML SUBJECT_SAMPLE_FACTORS 13 13.2 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=13.2.mzML SUBJECT_SAMPLE_FACTORS 13 13.3 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=13.3.mzML SUBJECT_SAMPLE_FACTORS 14 14.1 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=14.1.mzML SUBJECT_SAMPLE_FACTORS 14 14.2 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=14.2.mzML SUBJECT_SAMPLE_FACTORS 14 14.3 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=14.3.mzML SUBJECT_SAMPLE_FACTORS 15 15.1 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=15.1.mzML SUBJECT_SAMPLE_FACTORS 15 15.2 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=15.2.mzML SUBJECT_SAMPLE_FACTORS 15 15.3 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=15.3.mzML SUBJECT_SAMPLE_FACTORS 16 16.1 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=16.1.mzML SUBJECT_SAMPLE_FACTORS 16 16.2 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=16.2.mzML SUBJECT_SAMPLE_FACTORS 16 16.3 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=16.3.mzML SUBJECT_SAMPLE_FACTORS 17 17.1 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=17.1.mzML SUBJECT_SAMPLE_FACTORS 17 17.2 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=17.2.mzML SUBJECT_SAMPLE_FACTORS 17 17.3 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=17.3.mzML SUBJECT_SAMPLE_FACTORS 21 21.1 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=21.1.mzML SUBJECT_SAMPLE_FACTORS 21 21.2 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=21.2.mzML SUBJECT_SAMPLE_FACTORS 21 21.3 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=21.3.mzML SUBJECT_SAMPLE_FACTORS 22 22.1 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=22.1.mzML SUBJECT_SAMPLE_FACTORS 22 22.2 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=22.2.mzML SUBJECT_SAMPLE_FACTORS 22 22.3 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=22.3.mzML SUBJECT_SAMPLE_FACTORS 24 24.1 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=24.1.mzML SUBJECT_SAMPLE_FACTORS 24 24.2 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=24.2.mzML SUBJECT_SAMPLE_FACTORS 24 24.3 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=24.3.mzML SUBJECT_SAMPLE_FACTORS 25 25.1 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=25.1.mzML SUBJECT_SAMPLE_FACTORS 25 25.2 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=25.2.mzML SUBJECT_SAMPLE_FACTORS 25 25.3 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=25.3.mzML SUBJECT_SAMPLE_FACTORS 26 26.1 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=26.1.mzML SUBJECT_SAMPLE_FACTORS 26 26.2 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=26.2.mzML SUBJECT_SAMPLE_FACTORS 26 26.3 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=26.3.mzML SUBJECT_SAMPLE_FACTORS 27 27.1 Milk_group:Almond | Milk_process:Unknown RAW_FILE_NAME=27.1.mzML SUBJECT_SAMPLE_FACTORS 27 27.2 Milk_group:Almond | Milk_process:Unknown RAW_FILE_NAME=27.2.mzML SUBJECT_SAMPLE_FACTORS 27 27.3 Milk_group:Almond | Milk_process:Unknown RAW_FILE_NAME=27.3.mzML SUBJECT_SAMPLE_FACTORS 28 28.1 Milk_group:Almond | Milk_process:Unknown RAW_FILE_NAME=28.1.mzML SUBJECT_SAMPLE_FACTORS 28 28.2 Milk_group:Almond | Milk_process:Unknown RAW_FILE_NAME=28.2.mzML SUBJECT_SAMPLE_FACTORS 28 28.3 Milk_group:Almond | Milk_process:Unknown RAW_FILE_NAME=28.3.mzML SUBJECT_SAMPLE_FACTORS 29 29.1 Milk_group:Almond | Milk_process:Unknown RAW_FILE_NAME=29.1.mzML SUBJECT_SAMPLE_FACTORS 29 29.2 Milk_group:Almond | Milk_process:Unknown RAW_FILE_NAME=29.2.mzML SUBJECT_SAMPLE_FACTORS 29 29.3 Milk_group:Almond | Milk_process:Unknown RAW_FILE_NAME=29.3.mzML SUBJECT_SAMPLE_FACTORS 3 3.1 Milk_group:Cow | Milk_process:Unknown RAW_FILE_NAME=3.1.mzML SUBJECT_SAMPLE_FACTORS 31 31.1 Milk_group:LactoseFree | Milk_process:LactoseFree RAW_FILE_NAME=31.1.mzML SUBJECT_SAMPLE_FACTORS 31 31.2 Milk_group:LactoseFree | Milk_process:LactoseFree RAW_FILE_NAME=31.2.mzML SUBJECT_SAMPLE_FACTORS 31 31.3 Milk_group:LactoseFree | Milk_process:LactoseFree RAW_FILE_NAME=31.3.mzML SUBJECT_SAMPLE_FACTORS 32 32.1 Milk_group:LactoseFree | Milk_process:LactoseFree RAW_FILE_NAME=32.1.mzML SUBJECT_SAMPLE_FACTORS 32 32.2 Milk_group:LactoseFree | Milk_process:LactoseFree RAW_FILE_NAME=32.2.mzML SUBJECT_SAMPLE_FACTORS 32 32.3 Milk_group:LactoseFree | Milk_process:LactoseFree RAW_FILE_NAME=32.3.mzML SUBJECT_SAMPLE_FACTORS 33 33.1 Milk_group:LactoseFree | Milk_process:LactoseFree RAW_FILE_NAME=33.1.mzML SUBJECT_SAMPLE_FACTORS 33 33.2 Milk_group:LactoseFree | Milk_process:LactoseFree RAW_FILE_NAME=33.2.mzML SUBJECT_SAMPLE_FACTORS 33 33.3 Milk_group:LactoseFree | Milk_process:LactoseFree RAW_FILE_NAME=33.3.mzML SUBJECT_SAMPLE_FACTORS 34 34.1 Milk_group:LactoseFree | Milk_process:LactoseFree RAW_FILE_NAME=34.1.mzML SUBJECT_SAMPLE_FACTORS 34 34.2 Milk_group:LactoseFree | Milk_process:LactoseFree RAW_FILE_NAME=34.2.mzML SUBJECT_SAMPLE_FACTORS 34 34.3 Milk_group:LactoseFree | Milk_process:LactoseFree RAW_FILE_NAME=34.3.mzML SUBJECT_SAMPLE_FACTORS 35 35.1 Milk_group:LactoseFree | Milk_process:LactoseFree RAW_FILE_NAME=35.1.mzML SUBJECT_SAMPLE_FACTORS 35 35.2 Milk_group:LactoseFree | Milk_process:LactoseFree RAW_FILE_NAME=35.2.mzML SUBJECT_SAMPLE_FACTORS 35 35.3 Milk_group:LactoseFree | Milk_process:LactoseFree RAW_FILE_NAME=35.3.mzML SUBJECT_SAMPLE_FACTORS 36 36.1 Milk_group:LactoseFree | Milk_process:LactoseFree RAW_FILE_NAME=36.1.mzML SUBJECT_SAMPLE_FACTORS 36 36.2 Milk_group:LactoseFree | Milk_process:LactoseFree RAW_FILE_NAME=36.2.mzML SUBJECT_SAMPLE_FACTORS 36 36.3 Milk_group:LactoseFree | Milk_process:LactoseFree RAW_FILE_NAME=36.3.mzML SUBJECT_SAMPLE_FACTORS 4 4.2 Milk_group:Cow | Milk_process:Unknown RAW_FILE_NAME=4.2.mzML SUBJECT_SAMPLE_FACTORS 6 6.2 Milk_group:Cow | Milk_process:Unknown RAW_FILE_NAME=6.2.mzML SUBJECT_SAMPLE_FACTORS 6 6.3 Milk_group:Cow | Milk_process:Unknown RAW_FILE_NAME=6.3.mzML SUBJECT_SAMPLE_FACTORS 7 7.3 Milk_group:Cow | Milk_process:Unknown RAW_FILE_NAME=7.3.mzML SUBJECT_SAMPLE_FACTORS 9 9.1 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=9.1.mzML SUBJECT_SAMPLE_FACTORS 9 9.2 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=9.2.mzML SUBJECT_SAMPLE_FACTORS 9 9.3 Milk_group:Cow | Milk_process:Pasteurized RAW_FILE_NAME=9.3.mzML SUBJECT_SAMPLE_FACTORS 30 Alm 30.1 Milk_group:Almond | Milk_process:Unknown RAW_FILE_NAME=Alm 30.1.mzML SUBJECT_SAMPLE_FACTORS 30 Alm 30.2 Milk_group:Almond | Milk_process:Unknown RAW_FILE_NAME=Alm 30.2.mzML SUBJECT_SAMPLE_FACTORS 30 Alm 30.3 Milk_group:Almond | Milk_process:Unknown RAW_FILE_NAME=Alm 30.3.mzML SUBJECT_SAMPLE_FACTORS 1 Cow 1.1 Milk_group:Cow | Milk_process:UHT RAW_FILE_NAME=Cow 1.1.mzML SUBJECT_SAMPLE_FACTORS 2 Cow 2.2 Milk_group:Cow | Milk_process:UHT RAW_FILE_NAME=Cow 2.2.mzML SUBJECT_SAMPLE_FACTORS 1 Cow1.2 Milk_group:Cow | Milk_process:UHT RAW_FILE_NAME=Cow1.2.mzML SUBJECT_SAMPLE_FACTORS 1 Cow1.3 Milk_group:Cow | Milk_process:UHT RAW_FILE_NAME=Cow1.3.mzML SUBJECT_SAMPLE_FACTORS 2 Cow2.1 Milk_group:Cow | Milk_process:UHT RAW_FILE_NAME=Cow2.1.mzML SUBJECT_SAMPLE_FACTORS 2 Cow2.3 Milk_group:Cow | Milk_process:UHT RAW_FILE_NAME=Cow2.3.mzML SUBJECT_SAMPLE_FACTORS PS1 PS1 Milk_group:pool | Milk_process:pool RAW_FILE_NAME=PS1.mzML SUBJECT_SAMPLE_FACTORS PS10 PS10 Milk_group:pool | Milk_process:pool RAW_FILE_NAME=PS10.mzML SUBJECT_SAMPLE_FACTORS PS2 PS2 Milk_group:pool | Milk_process:pool RAW_FILE_NAME=PS2.mzML SUBJECT_SAMPLE_FACTORS PS3 PS3 Milk_group:pool | Milk_process:pool RAW_FILE_NAME=PS3.mzML SUBJECT_SAMPLE_FACTORS PS4 PS4 Milk_group:pool | Milk_process:pool RAW_FILE_NAME=PS4.mzML SUBJECT_SAMPLE_FACTORS PS5 PS5 Milk_group:pool | Milk_process:pool RAW_FILE_NAME=PS5.mzML SUBJECT_SAMPLE_FACTORS PS6 PS6 Milk_group:pool | Milk_process:pool RAW_FILE_NAME=PS6.mzML SUBJECT_SAMPLE_FACTORS PS7 PS7 Milk_group:pool | Milk_process:pool RAW_FILE_NAME=PS7.mzML SUBJECT_SAMPLE_FACTORS PS8 PS8 Milk_group:pool | Milk_process:pool RAW_FILE_NAME=PS8.mzML SUBJECT_SAMPLE_FACTORS PS9 PS9 Milk_group:pool | Milk_process:pool RAW_FILE_NAME=PS9.mzML SUBJECT_SAMPLE_FACTORS 18 Soy 18.1 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=Soy 18.1.mzML SUBJECT_SAMPLE_FACTORS 19 Soy 19.1 Dil x5 DF Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=Soy 19.1 Dil x5 DF.mzML SUBJECT_SAMPLE_FACTORS 20 Soy 20.1 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=Soy 20.1.mzML SUBJECT_SAMPLE_FACTORS 20 Soy 20.2 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=Soy 20.2.mzML SUBJECT_SAMPLE_FACTORS 20 Soy 20.3 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=Soy 20.3.mzML SUBJECT_SAMPLE_FACTORS 19 Soy19.2 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=Soy19.2.mzML SUBJECT_SAMPLE_FACTORS 19 Soy19.3 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=Soy19.3.mzML SUBJECT_SAMPLE_FACTORS 3 cow 3.2 Milk_group:Cow | Milk_process:Unknown RAW_FILE_NAME=cow 3.2.mzML SUBJECT_SAMPLE_FACTORS 3 cow 3.3 Milk_group:Cow | Milk_process:Unknown RAW_FILE_NAME=cow 3.3.mzML SUBJECT_SAMPLE_FACTORS 4 cow 4.1 Milk_group:Cow | Milk_process:Unknown RAW_FILE_NAME=cow 4.1.mzML SUBJECT_SAMPLE_FACTORS 4 cow 4.3 Milk_group:Cow | Milk_process:Unknown RAW_FILE_NAME=cow 4.3.mzML SUBJECT_SAMPLE_FACTORS 5 cow 5.1 Milk_group:Cow | Milk_process:Unknown RAW_FILE_NAME=cow 5.1.mzML SUBJECT_SAMPLE_FACTORS 5 cow 5.2 Milk_group:Cow | Milk_process:Unknown RAW_FILE_NAME=cow 5.2.mzML SUBJECT_SAMPLE_FACTORS 5 cow 5.3 Milk_group:Cow | Milk_process:Unknown RAW_FILE_NAME=cow 5.3.mzML SUBJECT_SAMPLE_FACTORS 6 cow 6.1 Milk_group:Cow | Milk_process:Unknown RAW_FILE_NAME=cow 6.1.mzML SUBJECT_SAMPLE_FACTORS 7 cow 7.1 Milk_group:Cow | Milk_process:Unknown RAW_FILE_NAME=cow 7.1.mzML SUBJECT_SAMPLE_FACTORS 7 cow 7.2 Milk_group:Cow | Milk_process:Unknown RAW_FILE_NAME=cow 7.2.mzML SUBJECT_SAMPLE_FACTORS 8 cow 8.1 Milk_group:Cow | Milk_process:Sterilized RAW_FILE_NAME=cow 8.1.mzML SUBJECT_SAMPLE_FACTORS 8 cow 8.2 Milk_group:Cow | Milk_process:Sterilized RAW_FILE_NAME=cow 8.2.mzML SUBJECT_SAMPLE_FACTORS 8 cow 8.3 Milk_group:Cow | Milk_process:Sterilized RAW_FILE_NAME=cow 8.3.mzML SUBJECT_SAMPLE_FACTORS 18 soy 18.2 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=soy 18.2.mzML SUBJECT_SAMPLE_FACTORS 18 soy 18.3 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=soy 18.3.mzML SUBJECT_SAMPLE_FACTORS 23 soy 23.1 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=soy 23.1.mzML SUBJECT_SAMPLE_FACTORS 23 soy 23.2 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=soy 23.2.mzML SUBJECT_SAMPLE_FACTORS 23 soy 23.3 Milk_group:Soy | Milk_process:Unknown RAW_FILE_NAME=soy 23.3.mzML #COLLECTION CO:COLLECTION_SUMMARY All 36 brands of commercial milk samples available in retail stores in Thailand CO:COLLECTION_SUMMARY were collected in July 2019. They included 17 brands of whole cow’s milk, 6 CO:COLLECTION_SUMMARY brands of lactose-free cow’s milk, 9 brands of soymilk, and 4 brands of almond CO:COLLECTION_SUMMARY milk. Of all the cow’s milk samples, there were 6, 2, and 9 ultra-high CO:COLLECTION_SUMMARY temperature processing (UHT), sterilized, pasteurized milk samples, CO:COLLECTION_SUMMARY respectively. All the selected milk samples were commercially labeled as CO:COLLECTION_SUMMARY unsweetened or original flavored. The samples were transferred to sterile CO:COLLECTION_SUMMARY polypropylene conical tubes and stored at -20 °C until analysis. We note that CO:COLLECTION_SUMMARY only a sample was collected for each product, however, all the samples were CO:COLLECTION_SUMMARY analyzed in triplicate. CO:SAMPLE_TYPE food #TREATMENT TR:TREATMENT_SUMMARY All 36 brands of commercial milk samples available in retail stores in Thailand TR:TREATMENT_SUMMARY were collected in July 2019. They included 17 brands of whole cow’s milk, 6 TR:TREATMENT_SUMMARY brands of lactose-free cow’s milk, 9 brands of soymilk, and 4 brands of almond TR:TREATMENT_SUMMARY milk. Of all the cow’s milk samples, there were 6, 2, and 9 ultra-high TR:TREATMENT_SUMMARY temperature processing (UHT), sterilized, pasteurized milk samples, TR:TREATMENT_SUMMARY respectively. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The samples were transferred to sterile polypropylene conical tubes and stored SP:SAMPLEPREP_SUMMARY at -20 °C until analysis. We note that only a sample was collected for each SP:SAMPLEPREP_SUMMARY product, however, all the samples were analyzed in triplicate. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY The upper phase containing FAMEs was taken for analysis using a GC coupled to a CH:CHROMATOGRAPHY_SUMMARY time of flight mass spectrometry (GC-TOFMS, Pegasus BT, Leco Corp., St.Joseph, CH:CHROMATOGRAPHY_SUMMARY MI) on a ZB-FAME (30 m ×0.25 mm ×0.2 μm, Zebron) in EI mode. One microliter CH:CHROMATOGRAPHY_SUMMARY of sample was injected with a split ratio of 60 to 1. Helium was used as a CH:CHROMATOGRAPHY_SUMMARY carrier gas. The total flow was 1 mL min−1. The GC oven temperature was CH:CHROMATOGRAPHY_SUMMARY programmed from 40 °C (2 min hold) to 150 °C at 20 °C min−1 (1 min hold), CH:CHROMATOGRAPHY_SUMMARY to 165 °C at 1 °C min−1 (1 min hold), to 180 °C at 2 °C min−1, to 200 CH:CHROMATOGRAPHY_SUMMARY °C at 5 °C min−1, and to 260 °C at 40 °C min−1 (8 min hold). The CH:CHROMATOGRAPHY_SUMMARY transfer line and ion source temperatures were kept at 240 °C and 220 °C, CH:CHROMATOGRAPHY_SUMMARY respectively. The TOFMS scanned from m/z 45–650 with a data acquisition rate CH:CHROMATOGRAPHY_SUMMARY of 20 spectra s−1. MS data was acquired and processed using ChromaTOF software CH:CHROMATOGRAPHY_SUMMARY (version 5.32, Leco Corp.). CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Leco Pegasus BT CH:COLUMN_NAME Zebron ZB-FAME (30m × 0.25mm, 0.2um) CH:SOLVENT_A na CH:SOLVENT_B na CH:FLOW_GRADIENT na CH:FLOW_RATE 1 CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 7890B MS:INSTRUMENT_TYPE GC-TOF MS:MS_TYPE EI MS:ION_MODE POSITIVE MS:MS_COMMENTS The TOFMS scanned from m/z 45–650 with a data acquisition rate of 20 MS:MS_COMMENTS spectra/s. MS data was acquired and processed using ChromaTOF software (version MS:MS_COMMENTS 5.32, Leco Corp.). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS uMol MS_METABOLITE_DATA_START Samples Cow 1.1 Cow1.2 Cow1.3 Cow2.1 Cow 2.2 Cow2.3 3.1 cow 3.2 cow 3.3 cow 4.1 4.2 cow 4.3 cow 5.1 cow 5.2 cow 5.3 cow 6.1 6.2 6.3 cow 7.1 cow 7.2 7.3 cow 8.1 cow 8.2 cow 8.3 9.1 9.2 9.3 10.1 10.2 10.3 11.1 11.2 11.3 12.1 12.2 12.3 13.1 13.2 13.3 14.1 14.2 14.3 15.1 15.2 15.3 16.1 16.2 16.3 17.1 17.2 17.3 Soy 18.1 soy 18.2 soy 18.3 Soy 19.1 Dil x5 DF Soy19.2 Soy19.3 Soy 20.1 Soy 20.2 Soy 20.3 21.1 21.2 21.3 22.1 22.2 22.3 soy 23.1 soy 23.2 soy 23.3 24.1 24.2 24.3 25.1 25.2 25.3 26.1 26.2 26.3 27.1 27.2 27.3 28.1 28.2 28.3 29.1 29.2 29.3 Alm 30.1 Alm 30.2 Alm 30.3 31.1 31.2 31.3 32.1 32.2 32.3 33.1 33.2 33.3 34.1 34.2 34.3 35.1 35.2 35.3 36.1 36.2 36.3 PS1 PS10 PS2 PS3 PS4 PS5 PS6 PS7 PS8 PS9 Factors Milk_group:Cow | Milk_process:UHT Milk_group:Cow | Milk_process:UHT Milk_group:Cow | Milk_process:UHT Milk_group:Cow | Milk_process:UHT Milk_group:Cow | Milk_process:UHT Milk_group:Cow | Milk_process:UHT Milk_group:Cow | Milk_process:Unknown Milk_group:Cow | Milk_process:Unknown Milk_group:Cow | Milk_process:Unknown Milk_group:Cow | Milk_process:Unknown Milk_group:Cow | Milk_process:Unknown Milk_group:Cow | Milk_process:Unknown Milk_group:Cow | Milk_process:Unknown Milk_group:Cow | Milk_process:Unknown Milk_group:Cow | Milk_process:Unknown Milk_group:Cow | Milk_process:Unknown Milk_group:Cow | Milk_process:Unknown Milk_group:Cow | Milk_process:Unknown Milk_group:Cow | Milk_process:Unknown Milk_group:Cow | Milk_process:Unknown Milk_group:Cow | Milk_process:Unknown Milk_group:Cow | Milk_process:Sterilized Milk_group:Cow | Milk_process:Sterilized Milk_group:Cow | Milk_process:Sterilized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Cow | Milk_process:Pasteurized Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Soy | Milk_process:Unknown Milk_group:Almond | Milk_process:Unknown Milk_group:Almond | Milk_process:Unknown Milk_group:Almond | Milk_process:Unknown Milk_group:Almond | Milk_process:Unknown Milk_group:Almond | Milk_process:Unknown Milk_group:Almond | Milk_process:Unknown Milk_group:Almond | Milk_process:Unknown Milk_group:Almond | Milk_process:Unknown Milk_group:Almond | Milk_process:Unknown Milk_group:Almond | Milk_process:Unknown Milk_group:Almond | Milk_process:Unknown Milk_group:Almond | Milk_process:Unknown Milk_group:LactoseFree | Milk_process:LactoseFree Milk_group:LactoseFree | Milk_process:LactoseFree Milk_group:LactoseFree | Milk_process:LactoseFree Milk_group:LactoseFree | Milk_process:LactoseFree Milk_group:LactoseFree | Milk_process:LactoseFree Milk_group:LactoseFree | Milk_process:LactoseFree Milk_group:LactoseFree | Milk_process:LactoseFree Milk_group:LactoseFree | Milk_process:LactoseFree Milk_group:LactoseFree | Milk_process:LactoseFree Milk_group:LactoseFree | Milk_process:LactoseFree Milk_group:LactoseFree | Milk_process:LactoseFree Milk_group:LactoseFree | Milk_process:LactoseFree Milk_group:LactoseFree | Milk_process:LactoseFree Milk_group:LactoseFree | Milk_process:LactoseFree Milk_group:LactoseFree | Milk_process:LactoseFree Milk_group:LactoseFree | Milk_process:LactoseFree Milk_group:LactoseFree | Milk_process:LactoseFree Milk_group:LactoseFree | Milk_process:LactoseFree Milk_group:pool | Milk_process:pool Milk_group:pool | Milk_process:pool Milk_group:pool | Milk_process:pool Milk_group:pool | Milk_process:pool Milk_group:pool | Milk_process:pool Milk_group:pool | Milk_process:pool Milk_group:pool | Milk_process:pool Milk_group:pool | Milk_process:pool Milk_group:pool | Milk_process:pool Milk_group:pool | Milk_process:pool FA 4:0 314.3000655 287.8636114 325.0704727 371.0894854 516.489983 579.6437345 449.9092838 382.3494566 485.6474532 648.1826896 501.3135001 515.5108551 1456.94236 1369.799974 1267.970669 688.3269347 519.9169308 501.3135001 1297.344507 1616.540212 548.8012047 424.9415216 450.3988478 463.1275109 546.8429489 518.9378029 565.4463795 586.987194 786.7292917 716.2320807 928.7028415 679.0252194 681.9626032 560.5507399 787.7084196 513.0630353 682.9417311 764.2093493 492.9909127 692.2434465 529.7082101 533.6247218 590.9037057 713.2946969 575.7272228 394.0989918 556.6342282 483.1996334 546.8429489 569.8524552 631.0479508 14.19735498 13.21822705 13.70779102 7.833023439 10.77040723 8.812151369 269.2601807 243.3132906 235.9698311 188.4821265 184.5656148 195.336022 13.21822705 13.21822705 13.21822705 14.19735498 13.70779102 14.19735498 293.738379 287.2108594 280.6833399 319.8484571 293.738379 274.1558204 287.2108594 527.7499542 667.2756842 696.6495221 572.300275 518.9378029 579.1541705 452.8466676 462.6379469 420.0458819 598.2471652 596.2889093 602.6532409 625.1731833 454.3153595 469.4918424 487.6057091 443.5449523 513.0630353 357.8712584 399.9737594 290.8009952 372.5581773 439.1388766 383.3285846 390.1824801 368.1521016 453.3362316 331.9243682 FA 6:0 204.3247719 144.0259201 159.772754 202.7884954 234.2821633 342.9737243 181.6646938 165.5337908 202.7884954 299.9579828 216.2309146 232.7458868 858.0104144 814.6106038 641.0113615 312.2481947 210.4698778 200.8681498 758.5365123 870.6846954 240.4272692 187.4257306 194.3389748 204.3247719 227.7529882 207.0132558 233.5140251 308.7915726 422.4760322 366.4019406 485.0792988 345.6622081 354.879867 248.1086516 367.1700789 221.2238132 325.6906139 342.2055861 202.7884954 298.0376372 222.7600897 226.2167118 234.2821633 298.8057755 232.7458868 172.0629658 233.5140251 205.0929102 231.5936795 243.4998222 276.1456974 3.840691202 4.224760322 4.224760322 193.1867674 179.7443482 179.7443482 113.6844596 112.9163213 122.1339802 5.376967682 8.449520643 7.681382403 16.13090305 16.89904129 16.89904129 6.145105922 6.145105922 6.145105922 8.065451523 5.761036802 5.761036802 122.9021184 92.17658884 117.7811968 237.3547163 301.8783284 316.0888859 253.1015502 230.4414721 237.3547163 197.4115278 205.0929102 184.3531777 297.269499 293.8128769 295.7332225 281.138596 192.4186292 200.1000116 226.2167118 206.2451175 233.8980942 167.4541364 178.2080718 127.895017 177.0558644 207.3973249 174.7514497 178.2080718 160.5408922 206.2451175 149.0188186 FA 8:0 122.9161137 85.94648567 91.31814103 119.4403367 133.6594244 178.2125659 93.84597884 91.95010048 109.6449652 163.045539 114.0686814 128.2877691 485.9768197 459.4345227 334.3065509 168.4171944 110.2769246 106.8011476 421.5169555 465.4381375 127.6558096 103.0093909 104.5892896 109.6449652 112.8047624 100.7975328 114.0686814 182.3203023 246.4641869 218.6579709 280.5899973 201.5950657 210.7584777 130.4996271 196.2234103 122.600134 177.2646267 170.6290524 103.0093909 156.093985 121.6521948 119.7563164 116.9124989 148.5104716 121.0202353 83.73462759 121.9681745 108.0650665 119.7563164 123.5480732 141.2429379 0.315979727 313.7678687 291.0173283 285.645673 198.1192887 188.9558766 207.5986805 1.263918907 1.263918907 1.263918907 0.315979727 0.315979727 0.315979727 3.159797267 2.843817541 2.843817541 1457.719806 1154.379268 1470.358995 127.6558096 159.8857417 170.3130727 136.1872622 128.2877691 129.2357082 114.7006408 119.124357 106.8011476 170.6290524 172.8409105 179.1605051 144.7187148 100.7975328 104.2733098 131.1315866 121.3362151 137.4511811 103.3253706 108.697026 76.46709387 107.7490868 124.8119921 107.4331071 109.6449652 91.0021613 114.3846611 91.0021613 FA 10:0 163.4537756 110.3111688 113.5319328 151.1075134 178.7524048 227.6006596 120.5102549 117.8262849 144.3975883 217.4015735 148.6919404 169.6269067 775.1305483 722.2563385 459.4956713 218.2067645 141.1768242 136.3456782 642.2740312 662.1354095 165.3325546 139.5664422 137.6876632 142.7872063 143.0556033 127.22018 144.1291913 259.0031091 365.0199258 322.6131991 416.2837536 287.1847946 304.0938058 170.1637007 262.2238732 161.8433936 256.3191391 217.4015735 131.2461351 198.3453861 152.4494984 150.0339254 144.6659853 185.7307269 152.4494984 110.3111688 156.4754535 140.9084272 153.5230864 152.1811014 179.5575958 225.4534836 220.0855435 213.6440154 148.4235434 139.5664422 157.2806445 1216.733086 973.3864688 1238.204846 169.6269067 211.7652364 225.7218806 176.3368318 169.6269067 168.5533187 158.0858355 164.7957606 146.0079703 249.07242 255.5139481 263.2974612 191.903858 129.6357531 136.8824722 178.2156108 162.3801876 188.683094 126.683386 139.5664422 92.59696647 135.8088842 154.0598804 132.8565171 131.5145321 108.4323897 140.6400302 112.9951388 FA 12:0 200.3785498 146.4932821 150.225595 167.0210031 201.5448976 250.2982351 227.4378185 209.242793 259.1624783 382.7953438 275.0248082 299.5181117 1314.473956 1225.831524 731.3000626 314.9139025 210.6424104 204.1108628 888.2904747 900.4204917 235.1357139 202.4779759 201.0783585 207.6099061 213.2083755 190.3479589 213.9081842 285.2886687 406.5888386 360.1681967 513.892835 349.437797 371.1318659 293.2198337 446.4779329 282.0228949 421.9846294 365.9999356 220.4397318 339.6404756 259.1624783 252.1643916 251.931122 321.2121806 264.9942172 199.4454716 287.6213643 257.0630523 221.6060796 222.3058882 262.8947912 3.732312919 3.965582476 3.732312919 1293.712966 1298.145087 1248.225402 899.0208744 853.0667715 972.2675154 10.03059097 10.26386053 10.03059097 6.764817166 6.998086723 6.298278051 13464.31886 10332.28626 14142.3557 279.2236603 351.5372231 380.6959177 291.5869468 273.8584604 277.1242342 210.4091408 220.4397318 190.3479589 291.8202164 299.2848422 306.749468 285.7552079 189.6481502 200.845089 209.242793 190.814498 225.8049316 223.7055056 264.5276781 168.65389 242.1338006 285.0553992 239.3345659 231.403401 194.7800805 263.3613303 206.9100974 FA 14:0 364.8965026 258.0472158 270.6298539 319.7227694 409.8639631 489.2789736 367.5780485 299.3017667 375.2101404 555.4925278 434.8229664 431.3163296 2341.814581 2189.997834 1174.517064 574.0570757 409.8639631 395.8374158 1905.547706 1829.020514 438.1233305 370.8784125 370.0533215 385.1112326 433.9978754 384.9049598 435.0292392 561.2681649 826.3286544 722.7797316 927.4023041 612.6300808 646.4588125 487.4225188 743.4070071 460.8133335 729.999278 676.5746346 389.4429604 572.8194391 432.7602389 422.0340556 463.701152 599.84117 482.2656999 352.1075919 481.0280634 425.1281469 427.60342 436.885694 519.3947957 14.0265473 13.61400179 13.61400179 9.69481946 11.3450015 10.72618323 448.643241 445.9616951 432.5539661 339.3186811 311.4718592 365.9278664 9.076001196 7.425819161 8.663455687 34.65382275 35.89145928 35.27264101 10.10736497 9.488546705 9.69481946 13.20145629 12.99518353 12.78891078 8.044637424 6.600728143 6.600728143 2136.985736 1815.200239 2219.494838 479.5841541 618.4057179 671.8303613 497.7361565 461.6384245 471.7457895 369.0219577 391.505688 342.8253179 595.0968966 586.2271682 594.2718056 555.4925278 363.8651389 382.6359595 391.0931425 358.70832 423.4779649 302.395858 398.5189616 243.8143958 350.2511371 423.6842377 342.6190452 320.7541332 293.9386751 411.7204179 306.7275859 FA 14:1 56.16070448 38.68848531 40.7685114 45.3445688 55.74469926 71.76090017 53.04066534 47.42459489 60.11275405 90.481135 60.73676188 68.43285842 323.8600625 299.7317598 175.3461995 94.22518196 59.07274101 58.8647384 242.9470475 249.8111336 58.8647384 48.67261055 50.33663142 52.0006523 64.89681407 56.78471231 65.10481667 77.16896801 117.3134716 100.049255 113.5694246 74.04892887 79.45699671 71.76090017 110.2413829 68.22485581 90.481135 87.15309325 49.29661838 77.16896801 58.44873318 57.40872013 59.07274101 77.79297584 61.56877232 53.24866795 71.96890278 65.52082189 53.87267578 55.53669665 67.18484277 18.51223222 17.26421656 17.05621395 11.85614872 13.10416438 11.85614872 70.72088712 92.7691637 100.6732628 66.35283233 60.73676188 59.90475145 52.20865491 54.91268882 46.80058707 82.78503846 81.74502541 84.65706194 79.2489941 50.33663142 54.70468622 52.62466012 45.96857663 54.49668361 42.22452966 50.54463403 29.74437311 42.84853749 53.66467317 45.96857663 39.93650096 34.94443834 48.67261055 35.98445139 FA 15:0 31.1983156 21.83882092 23.20374723 31.58829455 41.53275765 47.18745235 38.41292609 28.85844193 36.07305242 48.55237866 40.55781028 38.21793661 181.14522 170.420799 95.73983101 58.8868207 44.65258921 43.09267343 175.4905253 168.6658937 44.06762079 37.04799978 37.24298925 38.60791556 47.57743129 42.70269448 47.96741024 81.11562057 115.4337677 102.1744836 92.2300205 63.37157857 64.93149435 46.01751551 66.88138907 44.06762079 67.27136802 64.93149435 38.41292609 54.59705231 42.89768395 40.75279976 47.18745235 60.44673648 48.9423576 34.12315769 44.84757868 39.19288398 47.38244182 48.55237866 56.54694703 3.314821033 4.484757868 4.094778923 25.15364195 24.76366301 24.37368406 19.69393672 17.93903147 20.08391567 48.35738918 60.44673648 65.90644171 47.77242077 43.67764184 45.04256815 35.488084 39.19288398 35.87806294 91.06008367 87.16029422 87.74526263 55.3770102 37.6329682 39.38787345 32.56324191 29.8333893 35.09810505 31.00332613 40.94778923 25.34863143 35.87806294 42.50770501 34.90311558 32.75823138 31.39330508 43.48265237 32.36825244 FA 16:0 1246.068137 985.2072855 993.7116081 732.2961264 959.5094411 1128.486634 1000.182288 743.018968 929.3745588 1140.503611 973.0054313 895.542145 5712.316515 5357.908114 2583.835058 1416.154589 1077.460698 1039.191246 5285.066742 4725.44534 1042.519025 922.719002 917.3575813 963.5767258 1129.965646 1009.610994 1152.335712 1356.809208 1963.574138 1721.200943 2575.700488 1862.076896 1895.35468 1135.69682 1716.579029 1052.317483 1784.05898 1741.722244 993.1569783 1342.758588 1024.216243 1004.804203 1152.890342 1511.550904 1169.714111 923.0887552 1135.327067 993.3418549 1115.73015 1141.982624 1360.876492 911.8112839 831.3899724 837.675776 822.8856498 924.5677678 911.6264073 1716.948782 1722.49508 1650.023461 1653.905869 1420.221874 1745.234899 596.4118414 565.7223294 528.5621372 1703.267915 1756.51237 1751.890455 611.941474 622.1096858 636.5300589 579.0334431 570.1593673 557.0331303 392.8627288 360.6942042 371.9716754 1661.424183 1649.099078 1178.280059 10072.07598 8716.314409 10932.36833 2203.728813 2233.309065 2156.893413 1585.008531 1814.255488 1624.448868 1146.049909 1476.60923 1603.61944 1173.781395 1071.729524 1104.452678 840.6338013 898.3152937 838.4152823 1550.744738 1414.860453 1400.99471 1363.279888 917.912211 953.408514 840.8186779 784.9859512 909.4078884 1038.266863 1429.09595 975.2239502 1271.581105 1454.608918 1240.336963 1151.781082 1166.201456 1519.130843 1190.605164 FA 16:1 73.38839823 51.78166169 54.38937127 60.72238026 77.11369763 92.57369015 86.42694613 75.06478296 94.06380991 112.8765719 79.72140721 84.37803146 392.2740271 359.6776573 221.4690495 142.3064372 93.87754494 93.13248506 288.1519088 303.0531064 79.53514224 70.96695361 70.22189373 75.80984284 102.8182635 89.22092069 99.46549404 131.5030689 197.6271333 169.5011228 162.9818489 107.6611527 115.4842815 98.90669913 149.384506 95.55392967 121.6310255 121.0722306 72.2708084 101.8869387 76.74116769 75.80984284 97.41657937 127.4052396 98.90669913 72.64333835 98.16163925 87.54453595 78.23128745 79.90767218 96.85778446 26.63589073 24.77324103 25.70456588 21.42047156 19.55782186 22.91059132 14.71493264 15.08746258 14.3424027 98.34790422 132.2481288 143.424027 94.62260482 87.91706589 88.4758608 75.06478296 77.67249254 72.45707337 140.2575225 144.5416168 145.6592066 115.2980165 75.62357787 82.32911679 67.98671409 63.70261978 74.13345811 57.92840571 77.67249254 46.19371259 64.8202096 78.97634733 66.86912427 61.0949102 54.01684133 73.20213326 57.55587577 FA 17:0 12.3032707 9.315333531 9.666855551 11.07294363 14.93968585 16.34577393 15.46696888 11.42446565 14.0608808 17.75186201 15.11544686 13.88511979 79.26821552 74.52266825 36.55829008 23.20045332 18.27914504 18.45490605 76.98332239 67.31646684 16.87305696 14.41240282 14.76392484 15.29120787 18.27914504 17.04881797 18.80642807 24.95806342 34.80067998 30.05513271 34.97644099 25.30958544 25.48534645 17.04881797 24.25501938 15.99425191 25.66110746 26.18839049 21.79436524 17.75186201 17.04881797 18.98218908 24.25501938 18.80642807 14.23664181 17.22457898 14.58816383 19.50947211 20.38827716 24.43078039 8.436528481 9.315333531 9.315333531 13.70935878 13.88511979 13.70935878 13.35783676 11.95174868 14.23664181 18.63066706 23.37621433 25.30958544 19.86099413 17.92762302 18.45490605 13.00631474 14.23664181 13.53359777 29.17632766 26.3641515 26.18839049 22.8489313 15.29120787 15.99425191 12.3032707 11.77598767 13.00631474 12.65479272 17.40033999 11.42446565 15.46696888 17.92762302 14.93968585 13.70935878 14.23664181 18.98218908 13.70935878 FA 18:0 397.6498792 377.2146284 366.829501 160.4669689 225.9602725 233.6653671 222.2752273 151.9243641 181.4047258 229.4778157 215.7426472 184.922269 1200.48723 1145.714058 501.8361575 281.7384569 244.2179966 239.1929349 1407.51977 1164.809292 285.2560001 225.6252684 223.2802396 227.300289 233.6653671 218.7576842 245.7255151 185.4247752 248.9080541 222.7777335 766.3219028 651.4154929 654.0955258 228.4728034 312.5588351 213.7326225 313.3963454 319.7614235 210.5500834 338.5216537 276.0433871 273.3633542 348.0692708 451.9205451 341.5366907 220.2652027 246.2280212 219.7626965 293.966107 298.1536583 342.2066989 429.6427717 398.4873894 405.6899778 222.9452355 238.3554246 243.3804863 818.582544 821.9325851 766.1544007 307.0312673 260.633198 321.7714481 142.2092449 135.1741586 125.4590394 913.3887073 941.8640567 930.3064149 218.0876759 226.6302808 234.5028774 201.8399766 198.4899355 196.982417 104.5212825 94.47115916 97.65369821 627.574367 605.2407596 477.9391976 5451.633558 4611.889921 5963.073167 701.2752713 714.6754357 670.008221 594.073956 661.0747781 607.4741204 237.8529185 301.3361974 323.4464687 265.9932637 247.7355397 250.0805685 175.5421539 186.9322937 183.5822526 220.7677088 199.3274457 193.1298697 313.0613413 230.482828 236.1778979 200.6674622 193.4648738 212.7276102 308.8737899 436.677858 311.2188187 379.057151 418.252632 381.5696819 360.2969208 357.4493859 430.1452779 383.7472086 FA 18:1 cis9 681.686064 497.7671285 519.008969 608.4017144 786.125113 918.35557 817.6338431 670.0030517 820.2890731 1014.297883 748.0668155 752.6692143 4637.270792 4318.289154 2214.107839 1278.758797 879.4121958 867.0211222 4122.510191 3983.022105 936.9421804 724.169745 726.1169137 743.2874014 907.9116651 805.0657541 883.6605639 782.938837 1137.323542 953.2275915 1625.354827 1111.656318 1180.161254 879.4121958 1269.731015 824.7144566 1027.574033 1066.340392 658.4970548 1222.644935 926.3212602 942.6066712 1232.911824 1592.961021 1218.927613 740.1011253 894.2814841 815.3326437 860.64857 862.7727541 1026.511941 806.6588922 718.6822695 694.0771376 715.1419628 781.5227143 805.5968001 1161.397628 1105.460782 1146.52834 1656.332511 1405.678794 1760.240514 658.1430241 614.7742665 561.49265 831.0870087 889.1480393 989.5157356 706.1141806 747.7127848 766.4764106 3081.837023 3023.598977 2987.664863 429.6162237 377.3966992 391.9119568 11690.09288 11694.81329 7743.830956 41641.08795 34121.47642 45275.80288 18980.76457 20144.34539 17951.71541 12400.51443 14602.58523 12870.19513 895.3435761 1162.45972 1249.02022 939.2433798 861.8876774 871.6235209 641.3265671 670.8881284 614.7742665 857.99334 838.1676222 841.3538983 1149.537601 783.6468983 828.077748 672.8352971 636.016107 715.4959934 716.5580855 972.3452479 596.5416868 815.6866744 952.3425148 839.7607602 778.8674842 662.7454229 899.4149289 743.8184474 FA 18:2 90.16134296 79.97362059 78.78505298 100.3490653 134.3081399 117.6681934 125.4787805 100.8584514 110.8763784 128.7048926 110.0274016 102.8959959 364.0412793 317.6871425 225.3184597 149.4199281 123.441236 127.6861203 333.9874983 356.9098736 158.5888782 200.0189492 196.4532463 201.0377214 116.3098304 111.2159692 119.1963517 133.459163 170.4745543 163.3431486 163.6827394 125.4787805 129.7236648 122.082873 152.8158355 124.6298036 141.4395455 141.4395455 113.7628998 171.4933265 151.9668587 155.8721522 145.0052484 175.7382109 151.1178818 95.93438563 120.5547147 105.7825173 192.208362 183.0394119 70.63487509 3090.615376 2809.773829 2810.283215 3846.204785 4315.009809 4254.05327 1387.737582 1323.385136 1330.176951 2580.719871 2480.540601 2733.535707 2433.167692 2262.013957 2083.55902 3005.717689 3190.62485 3441.242821 2583.436597 2660.353901 2711.462308 3704.935035 3659.090284 3578.267686 1530.026104 1345.458534 1412.188116 4539.1963 4602.586572 3146.874243 21627.40262 18127.354 23314.03666 9218.756774 9705.50351 8505.616208 4672.76866 5503.634017 5001.039714 134.9873214 168.2672144 174.0402571 143.47709 143.47709 145.0052484 121.0641008 130.9122324 119.5359425 150.7782911 155.7023569 147.8917697 169.2859867 130.7424371 129.7236648 110.5367877 107.6502664 115.4608535 646.0713935 862.7302892 623.3188136 728.5919447 816.3761524 771.7199694 711.7822028 668.9937688 788.3599159 762.0416331 FA 22:0 3.524998301 7.754996262 3.806998165 7.754996262 5.075997553 4.934997621 5.357997417 8.177996058 4.934997621 5.498997349 5.357997417 4.511997825 7.049996602 7.895996194 6.626996806 9.446995447 9.305995515 7.190996534 10.01099517 12.68999388 12.68999388 13.53599348 13.95899327 12.68999388 6.20399701 6.062997078 6.344996942 7.61399633 7.895996194 7.61399633 6.767996738 6.062997078 5.780997214 18.4709911 15.65099246 14.0999932 8.036996126 9.446995447 8.459995922 8.600995854 8.882995718 10.01099517 5.357997417 7.754996262 6.90899667 14.24099314 14.38199307 11.27999456 19.73999049 12.12599416 12.97199375 26.36698729 29.18698593 26.64898716 7.472996398 6.767996738 7.049996602 7.049996602 5.921997146 6.485996874 8.177996058 7.754996262 6.767996738 21.29098974 18.75299096 20.16299028 18.18899123 16.35599212 17.20199171 5.780997214 4.934997621 5.498997349 176.7199148 69.55996647 105.2799493 6.20399701 7.190996534 8.31899599 9.728995311 9.02399565 13.81799334 9.869995243 8.31899599 6.626996806 8.882995718 7.895996194 8.31899599 9.446995447 10.29299504 10.01099517 7.190996534 6.626996806 6.626996806 5.075997553 9.02399565 7.472996398 6.20399701 7.190996534 5.780997214 5.357997417 6.626996806 7.190996534 7.754996262 FA 24:0 3.658568773 1.829284387 4.442547796 1.829284387 5.226526819 2.613263409 3.135916091 1.567958046 3.658568773 1.698621216 3.658568773 3.789231944 2.090610727 4.442547796 4.311884625 4.311884625 7.055811205 6.925148035 4.311884625 6.794484864 8.101116569 8.885095592 3.005252921 3.397242432 2.87458975 4.442547796 4.834537307 3.658568773 4.050558285 4.311884625 4.181221455 14.50361192 12.28233802 11.89034851 5.095863648 5.879842671 5.095863648 5.226526819 5.749179501 6.271832182 3.527905603 4.834537307 3.658568773 10.84504315 9.799737785 8.885095592 7.186474376 3.005252921 4.311884625 4.181221455 5.48785316 4.573210966 1.437294875 2.482600239 2.351937068 1.567958046 0.783979023 1.437294875 1.175968534 1.306631705 0.914642193 8.101116569 6.141169012 6.925148035 4.834537307 4.181221455 4.311884625 52.26526819 29.61698531 3.266579262 5.226526819 5.357189989 7.055811205 6.794484864 8.885095592 5.226526819 5.226526819 4.181221455 4.965200478 5.095863648 6.010505842 6.402495353 6.010505842 4.050558285 3.135916091 3.005252921 1.829284387 4.311884625 4.311884625 2.351937068 3.005252921 2.482600239 1.437294875 3.658568773 3.658568773 3.789231944 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name description molecular weight FA 4:0 Butanoic acid, methyl ester 102.1317 FA 6:0 Hexanoic acid, methyl ester 130.1849 FA 8:0 Octanoic acid, methyl ester 158.238 FA 10:0 Decanoic acid, methyl ester 186.2912 FA 12:0 Dodecanoic acid, methyl ester 214.3443 FA 14:0 Methyl tetradecanoate 242.3975 FA 14:1 Methyl myristoleate 240.3816 FA 15:0 Pentadecanoic acid, methyl ester 256.4241 FA 16:0 Hexadecanoic acid, methyl ester 270.4507 FA 16:1 9-Hexadecenoic acid, methyl ester, (Z)- 268.4348 FA 17:0 Heptadecanoic acid, methyl ester 284.4772 FA 18:0 Methyl stearate 298.5038 FA 18:1 cis9 Oleic Acid 282.4614 FA 18:2 9,12-Octadecadienoic acid (Z,Z)-, methyl ester 294.4721 FA 22:0 Docosanoic acid, methyl ester 354.6101 FA 24:0 Tetracosanoic acid, methyl ester 382.6633 METABOLITES_END #END