#METABOLOMICS WORKBENCH syfoods_20240218_194625 DATATRACK_ID:4659 STUDY_ID:ST003299 ANALYSIS_ID:AN005406 PROJECT_ID:PR001923 VERSION 1 CREATED_ON February 18, 2024, 7:54 pm #PROJECT PR:PROJECT_TITLE Probiotic intervention of FMT mice PR:PROJECT_SUMMARY L. plantarum intervention of gestational fecal microbiome transplant germ-free PR:PROJECT_SUMMARY mice PR:INSTITUTE Beijing Sanyuan Foods Co. Ltd PR:LAST_NAME Bin PR:FIRST_NAME Liu PR:ADDRESS 8th yingchang street, yinghai distric PR:EMAIL liubin@sanyuan.com.cn PR:PHONE 01056306594 #STUDY ST:STUDY_TITLE probiotic on gestational health of FMT GF mice ST:STUDY_SUMMARY probiotic L.plantarum intervention gestational on FMT GF mice ST:INSTITUTE Beijing Sanyuan Foods Co. Ltd ST:LAST_NAME Liu ST:FIRST_NAME Bin ST:ADDRESS 8th yingchang street, yinghai distric ST:EMAIL liubin@sanyuan.com.cn ST:PHONE 01056306594 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENDER Female #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 - 081S0 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801184.mzML SUBJECT_SAMPLE_FACTORS - 081S1 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801206.mzML SUBJECT_SAMPLE_FACTORS - 081S14 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801250.mzML SUBJECT_SAMPLE_FACTORS - 081S18 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801272.mzML SUBJECT_SAMPLE_FACTORS - 081S7 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801228.mzML SUBJECT_SAMPLE_FACTORS - 107S0 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801185.mzML SUBJECT_SAMPLE_FACTORS - 107S1 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801207.mzML SUBJECT_SAMPLE_FACTORS - 107S14 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801251.mzML SUBJECT_SAMPLE_FACTORS - 107S18 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801273.mzML SUBJECT_SAMPLE_FACTORS - 107S7 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801229.mzML SUBJECT_SAMPLE_FACTORS - 120S0 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801186.mzML SUBJECT_SAMPLE_FACTORS - 120S1 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801208.mzML SUBJECT_SAMPLE_FACTORS - 120S14 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801252.mzML SUBJECT_SAMPLE_FACTORS - 120S18 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801274.mzML SUBJECT_SAMPLE_FACTORS - 120S7 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801230.mzML SUBJECT_SAMPLE_FACTORS - 122S0 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801187.mzML SUBJECT_SAMPLE_FACTORS - 122S1 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801209.mzML SUBJECT_SAMPLE_FACTORS - 122S14 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801253.mzML SUBJECT_SAMPLE_FACTORS - 122S18 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801275.mzML SUBJECT_SAMPLE_FACTORS - 122S7 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801231.mzML SUBJECT_SAMPLE_FACTORS - 180S0 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801182.mzML SUBJECT_SAMPLE_FACTORS - 180S1 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801204.mzML SUBJECT_SAMPLE_FACTORS - 180S14 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801248.mzML SUBJECT_SAMPLE_FACTORS - 180S18 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801270.mzML SUBJECT_SAMPLE_FACTORS - 180S7 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801226.mzML SUBJECT_SAMPLE_FACTORS - 185S0 Sample source:fecal | Factor:control RAW_FILE_NAME=Wangyaru-P220801181.mzML SUBJECT_SAMPLE_FACTORS - 185S1 Sample source:fecal | Factor:control RAW_FILE_NAME=Wangyaru-P220801203.mzML SUBJECT_SAMPLE_FACTORS - 185S14 Sample source:fecal | Factor:control RAW_FILE_NAME=Wangyaru-P220801247.mzML SUBJECT_SAMPLE_FACTORS - 185S18 Sample source:fecal | Factor:control RAW_FILE_NAME=Wangyaru-P220801269.mzML SUBJECT_SAMPLE_FACTORS - 185S7 Sample source:fecal | Factor:control RAW_FILE_NAME=Wangyaru-P220801225.mzML SUBJECT_SAMPLE_FACTORS - 188S0 Sample source:fecal | Factor:control RAW_FILE_NAME=Wangyaru-P220801179.mzML SUBJECT_SAMPLE_FACTORS - 188S1 Sample source:fecal | Factor:control RAW_FILE_NAME=Wangyaru-P220801201.mzML SUBJECT_SAMPLE_FACTORS - 188S14 Sample source:fecal | Factor:control RAW_FILE_NAME=Wangyaru-P220801245.mzML SUBJECT_SAMPLE_FACTORS - 188S18 Sample source:fecal | Factor:control RAW_FILE_NAME=Wangyaru-P220801267.mzML SUBJECT_SAMPLE_FACTORS - 188S7 Sample source:fecal | Factor:control RAW_FILE_NAME=Wangyaru-P220801223.mzML SUBJECT_SAMPLE_FACTORS - 907S0 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801183.mzML SUBJECT_SAMPLE_FACTORS - 907S1 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801205.mzML SUBJECT_SAMPLE_FACTORS - 907S14 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801249.mzML SUBJECT_SAMPLE_FACTORS - 907S18 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801271.mzML SUBJECT_SAMPLE_FACTORS - 907S7 Sample source:fecal | Factor:intervention RAW_FILE_NAME=Wangyaru-P220801227.mzML SUBJECT_SAMPLE_FACTORS - 908S0 Sample source:fecal | Factor:control RAW_FILE_NAME=Wangyaru-P220801178.mzML SUBJECT_SAMPLE_FACTORS - 908S1 Sample source:fecal | Factor:control RAW_FILE_NAME=Wangyaru-P220801200.mzML SUBJECT_SAMPLE_FACTORS - 908S14 Sample source:fecal | Factor:control RAW_FILE_NAME=Wangyaru-P220801244.mzML SUBJECT_SAMPLE_FACTORS - 908S18 Sample source:fecal | Factor:control RAW_FILE_NAME=Wangyaru-P220801266.mzML SUBJECT_SAMPLE_FACTORS - 908S7 Sample source:fecal | Factor:control RAW_FILE_NAME=Wangyaru-P220801222.mzML SUBJECT_SAMPLE_FACTORS - 909S0 Sample source:fecal | Factor:control RAW_FILE_NAME=Wangyaru-P220801180.mzML SUBJECT_SAMPLE_FACTORS - 909S1 Sample source:fecal | Factor:control RAW_FILE_NAME=Wangyaru-P220801202.mzML SUBJECT_SAMPLE_FACTORS - 909S14 Sample source:fecal | Factor:control RAW_FILE_NAME=Wangyaru-P220801246.mzML SUBJECT_SAMPLE_FACTORS - 909S18 Sample source:fecal | Factor:control RAW_FILE_NAME=Wangyaru-P220801268.mzML SUBJECT_SAMPLE_FACTORS - 909S7 Sample source:fecal | Factor:control RAW_FILE_NAME=Wangyaru-P220801224.mzML #COLLECTION CO:COLLECTION_SUMMARY feces sample was collected and stored at -80°C environment CO:SAMPLE_TYPE Feces CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY mice were randomly assigned into two experimental groups, named control and TR:TREATMENT_SUMMARY intervention groups, receiving standard chow feeding, and standard chow + L. TR:TREATMENT_SUMMARY plantarum #SAMPLEPREP SP:SAMPLEPREP_SUMMARY sample was extracted in 100 μL of 80% methanol, and were centrifuged at 4 °C SP:SAMPLEPREP_SUMMARY for 10 min at 12000 rpm after vortexing for 120s and the supernatant was SP:SAMPLEPREP_SUMMARY resolved in water and filtered and then transferred into the vial SP:PROCESSING_STORAGE_CONDITIONS 4℃ SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE LC CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters ACQUITY UPLC HSS T3 (150 x 2.1mm,1.8um) CH:SOLVENT_A formic acid in water CH:SOLVENT_B formic acid in methanol CH:FLOW_GRADIENT 1% B； 2~3 min， 1~30% B； 3~3.5 min， 30% B； 4.5~8 min， 30~50% B； CH:FLOW_GRADIENT 8~10 min， 50~95% B； 10~11 min， 95% B； 11~17 min， 95~1% B CH:FLOW_RATE 0.3 mL/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 5500 QTrap MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS 45 arbitrary units (AU), 13 AU, 1 AU, 350 °C, and 350 °C for sheath gas, aux MS:MS_COMMENTS gas, sweep gas, ion transfer tube, and vaporizer temperature, respectively. The MS:MS_COMMENTS ion source was operated using heated ESI with an ion spray voltage set at 5500 V MS:MS_COMMENTS in positive ion mode. Polarity switching and scheduled selected reaction MS:MS_COMMENTS monitoring (SRM) were employed.MS Convert software (Proteowizard, v3.0.8789) was MS:MS_COMMENTS applied to convert “.raw” format raw data to “.mzML” format, which would MS:MS_COMMENTS be used for downstream analysis. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS μg/g MS_METABOLITE_DATA_START Samples 908S0 188S0 909S0 185S0 180S0 907S0 081S0 107S0 120S0 122S0 908S1 188S1 909S1 185S1 180S1 907S1 081S1 107S1 120S1 122S1 908S7 188S7 909S7 185S7 180S7 907S7 081S7 107S7 120S7 122S7 908S14 188S14 909S14 185S14 180S14 907S14 081S14 107S14 120S14 122S14 908S18 188S18 909S18 185S18 180S18 907S18 081S18 107S18 120S18 122S18 Factors Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:control Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention Sample source:fecal | Factor:intervention 2AP 0.137756 0.086822 0.327887 0.252739 0.186021 0.153443 0.167535 0.194751 0.208004 0.201888 0.149028 0.142328 0.16059 0.224875 0.13661 0.148361 0.277921 0.518792 0.235818 0.24096 0.176215 0.23468 0.182643 0.13795 0.11063 0.061764 0.176974 0.183013 0.128276 0.078534 0.250179 0.113409 0.192002 0.102585 0.199791 0.17173 0.108936 0.174678 0.137296 0.153057 0.526321 0.206781 0.510964 0.549929 0.632505 0.389677 0.291083 0.377721 0.56225 0.792859 IND 19.8071 3.248029 21.5245 8.297771 23.88039 5.510516 4.137106 4.992668 7.539246 3.854203 3.60899 4.068894 11.27359 8.276059 11.01127 5.794819 14.70338 6.070269 6.13504 6.074464 15.90842 8.604035 5.56251 5.911862 6.468253 9.8684 4.869879 11.65866 5.786404 9.792049 12.24948 8.731683 6.180121 7.247 3.378454 3.057991 7.528367 4.978178 6.159014 5.67202 2.997109 6.867008 2.680789 5.350728 6.576862 1.712002 5.258069 4.557006 3.719034 12.0456 Nam 0.000184 0.027801 0.045888 0.062586 0.048641 0.015327 0.216265 0.005622 0.231694 0.091979 0.031689 0.149837 0.192832 0.172611 0.012677 0.007333 0.006282 0.111162 0.035351 0.009224 0.023481 0.004733 0.009384 0.000102 0.013698 0.043744 0.077303 0.010826 0.000347 Na 52.3494 70.85297 192.6623 54.37665 87.99903 79.59702 45.23234 84.29743 54.19306 72.86315 39.23547 80.44941 26.35471 43.71248 35.4996 82.56084 147.91 84.87423 76.683 37.83115 52.81826 52.14193 33.45968 58.2585 62.00382 46.4852 61.17097 62.43872 59.96772 22.93124 128.5672 63.09149 66.31576 27.40039 23.38313 27.75982 27.17319 67.49413 52.18089 48.6812 27.24436 23.64157 26.10789 36.40177 61.48764 46.9493 25.0752 68.72395 60.99052 143.2211 PA 2.190403 2.327573 2.040694 2.113014 3.181601 1.522841 1.926743 3.300862 2.273689 1.01829 2.286475 2.015536 1.051247 5.042846 1.466532 2.301151 2.670054 2.079924 1.94364 1.389055 1.496291 1.670264 2.350988 1.790557 1.35671 2.986853 1.4614 1.347952 2.063961 1.393151 1.485086 1.873317 1.931082 2.396647 2.205197 6.406504 2.787166 1.952606 3.204571 4.252366 8.437917 IAld 1.78475 2.452993 4.592172 1.674146 1.31008 1.719667 2.0599 1.267755 2.319881 2.983884 2.749458 2.155833 1.91529 2.314277 1.842204 2.22261 6.689875 5.078846 4.428854 2.410675 4.272365 7.517953 2.045395 3.940769 3.238353 2.75104 2.34125 2.696128 4.179291 1.858627 6.401466 3.14497 2.214505 2.591078 2.708655 3.287815 2.535282 1.963563 4.971449 4.8499 0.940176 2.050341 0.905789 1.208628 2.155675 2.341238 1.453187 1.229066 3.445815 8.125037 TRM 0.022367 0.007996 0.036912 0.016251 0.112334 0.0198 0.019524 0.022138 0.014207 0.019141 0.026821 0.012812 0.314096 0.0252 0.055041 0.030983 0.047798 0.0438 0.021148 0.023618 0.384241 0.035824 0.081779 0.018737 0.026302 0.034007 0.032788 0.06744 0.022625 0.017798 0.202219 0.06032 0.10092 0.020256 0.041828 0.090625 0.071197 0.037361 0.020474 0.029173 0.286129 0.038411 0.089611 0.095294 0.148557 0.089694 0.077026 0.07538 0.107779 0.096991 IEt 0.17053 0.194605 0.464677 0.167908 0.254476 0.389058 0.180904 0.327298 0.170556 0.15109 0.182532 0.241868 0.146892 0.228386 0.125133 0.253414 0.401315 0.509388 0.156926 0.21803 0.258222 0.318104 0.309729 0.210002 0.238701 0.268946 0.352165 0.229818 0.198113 0.14393 0.378104 0.192966 0.24323 0.183336 0.264831 0.222291 0.175406 0.313763 0.201416 0.186564 0.268149 0.166534 0.203513 0.172309 0.342465 0.216926 0.17884 0.205651 0.276424 0.365686 I3CA 0.304508 0.407378 0.472458 0.093524 0.238202 0.425589 0.160542 0.248215 0.158684 0.173383 0.183515 0.345558 0.199302 0.147921 0.130833 0.336755 0.815 0.520092 0.23664 0.124321 0.250229 0.360763 0.19153 0.188885 0.219763 0.217594 0.145768 0.136103 0.261315 0.121495 0.344011 0.18543 0.147776 0.573465 0.154476 0.139707 0.124718 0.228235 0.245378 0.239014 0.129191 0.165739 0.092781 0.087203 0.192034 0.119596 0.104546 0.169225 0.421809 0.456616 IAM 0.020648 0.029949 0.084399 0.028603 0.063023 0.017596 0.016526 0.012394 0.034466 0.027947 0.019962 0.02481 0.140901 0.048236 0.038335 0.015896 0.045435 0.057747 0.05022 0.029425 0.05631 0.079009 0.043662 0.046697 0.051053 0.158522 0.036191 0.073848 0.043076 0.04022 0.166481 0.056791 0.024332 0.021359 0.019995 0.03549 0.026901 0.019254 0.043171 0.118902 0.03756 0.067053 0.036327 0.246776 0.057885 0.020606 0.028738 0.031676 0.134381 0.150437 IAA 8.97378 10.63629 28.64543 8.932463 9.192816 9.962202 7.832894 10.29678 8.673472 9.313645 10.04741 10.74416 10.56422 10.18749 6.782044 9.849217 24.29231 27.01258 12.54563 9.508373 15.26801 20.48474 9.4433 13.48767 10.19355 10.8905 10.37363 9.507904 14.39215 7.922921 23.34203 10.55646 11.50335 14.31151 10.58472 11.43316 11.76984 11.62502 15.96475 16.15138 9.88798 10.2297 6.670947 8.441949 13.98659 15.10397 8.790508 9.842555 18.62922 40.32064 Ser 0.242602 0.081367 0.599211 0.178327 0.36181 0.253482 0.272643 0.164756 0.18869 0.184603 0.246488 0.115863 0.168224 0.084251 0.236351 0.209428 0.330389 0.194628 0.163896 0.164608 0.51612 0.329591 0.231324 0.132586 0.190925 0.174905 0.177291 0.183598 0.15616 0.168939 0.37405 0.284913 0.208541 0.066251 0.191095 0.289185 0.272583 0.162168 0.166252 0.155611 0.423964 0.450149 0.384036 0.364616 1.995244 0.463868 0.579841 0.384619 1.425845 0.855617 IArA 0.07262 0.04541 0.075779 0.062744 0.0565 0.088189 0.093081 0.047761 0.042435 0.058155 0.170076 0.051429 0.055245 0.058831 0.069553 0.052102 0.137596 0.24805 0.036559 0.056312 0.24605 0.070008 0.045681 0.035685 0.053825 0.071611 0.045749 0.03258 0.031204 0.063556 0.114564 0.034801 0.056223 0.155684 0.122547 0.174592 0.182942 0.0586 0.050643 0.052275 0.099895 0.152423 0.072672 0.043531 0.094214 0.063992 0.087487 0.033363 0.068765 0.066509 IPA 0.393324 0.456086 0.72904 0.283397 0.682627 0.963964 0.30583 0.805449 0.257587 0.279807 0.344768 0.708579 0.561341 0.378057 0.199544 0.460456 0.829931 1.218973 0.223996 0.474121 0.621598 0.68676 0.699486 0.267988 0.225309 0.571818 0.413294 0.296984 0.257578 0.180521 1.071711 0.352523 0.579883 0.497961 0.551729 0.62845 0.405341 0.862492 0.357958 0.373994 0.85799 0.211074 0.525063 0.248382 0.582057 0.535621 0.326104 0.388862 0.374785 0.999844 KynA 7.89132 6.006461 19.95887 6.161146 7.638718 10.34897 7.887305 6.525059 5.514306 7.037291 6.728966 7.500471 5.071 6.338931 3.979643 8.796104 13.75106 12.53946 6.159111 5.283869 6.623983 7.987251 4.768419 5.194312 5.706426 5.64838 6.225302 4.262335 4.138005 3.617018 10.53052 3.973703 4.310465 3.260529 3.92004 4.312693 5.035101 4.256579 5.163783 4.9348 3.37101 2.715562 2.874497 3.134272 8.152195 3.877605 3.464451 3.146667 6.690647 7.801128 5-HIAA 0.164139 0.130301 0.259862 0.15979 0.172075 0.203881 0.196058 0.070932 0.083841 0.094701 0.105494 0.123198 0.043646 0.074874 0.061857 0.141575 1.224094 0.210398 0.111415 0.075829 0.125656 0.235809 0.058567 0.06711 0.124962 0.118173 0.144285 0.058474 0.055953 0.079273 0.132701 0.111422 0.06832 0.350363 0.092372 0.114231 0.124159 0.042824 0.120465 0.102193 0.097863 0.188562 0.108402 0.096473 0.358037 0.147881 0.157932 0.112497 0.331693 0.243141 Trp 59.7196 33.39311 117.3046 65.55775 67.52816 45.66111 38.76826 35.38557 58.31786 44.83566 51.01576 43.09671 66.76137 60.81881 68.08234 41.30843 113.5863 97.39615 64.10336 53.56369 162.766 95.76082 57.53696 59.46296 53.66406 50.4474 46.1131 78.96248 94.08688 73.98256 136.681 74.89624 69.94505 65.62922 53.36948 60.37572 66.50121 58.16599 71.29517 78.7824 42.5604 53.29137 56.89665 64.66437 88.47561 56.39281 54.68313 53.72854 144.3466 236.5615 XA 1.359736 0.299506 0.129837 0.10974 2.168036 1.156383 0.129534 1.366202 0.132529 0.265087 0.222948 2.753715 2.248144 0.507981 1.227528 0.180179 2.152012 0.464352 0.082656 0.134161 0.153944 0.416839 0.092966 0.259777 2.307237 0.100749 0.105329 2.039529 0.629239 0.223779 0.335625 0.137667 0.137586 0.159079 0.442592 0.209576 0.147486 1.758618 0.229299 0.404756 0.201982 0.854164 0.548225 ILA 1.355738 1.216667 1.122272 0.824013 2.232835 1.751905 1.459553 1.470411 0.221968 0.198391 1.525672 2.004831 0.401255 0.699663 0.350974 0.94193 0.701925 2.136038 0.250324 0.265778 0.945473 2.091368 1.946597 0.776666 0.829761 1.829036 0.973665 0.683407 0.310703 0.124103 2.887052 1.325525 2.22699 0.546739 0.798376 1.586837 1.036028 1.65681 0.423785 0.27669 1.427145 1.491394 2.10073 0.301012 0.979553 1.867305 1.399998 1.15081 0.996504 1.423138 Kyn 0.105461 0.07011 0.279315 0.149039 0.145308 0.12039 0.105769 0.091896 0.155407 0.10954 0.13997 0.108264 0.182869 0.145245 0.158451 0.111031 0.30207 0.281762 0.167874 0.155033 0.473212 0.25083 0.166464 0.157235 0.12884 0.142151 0.134164 0.193592 0.193292 0.203901 0.341944 0.183956 0.170546 0.141982 0.158115 0.171833 0.18901 0.135072 0.206533 0.193502 0.150218 0.170272 0.208055 0.21063 0.306615 0.171554 0.154965 0.138096 0.440086 0.470319 NAS 0.008269 0.00668 0.007851 0.003544 0.004277 0.013832 0.006345 0.003042 0.00257 0.002902 0.006956 0.005973 0.002819 0.002828 0.003884 0.005971 0.019945 0.010504 0.003921 0.003629 0.008723 0.014317 0.003998 0.002861 0.005952 0.004599 0.004459 0.003169 0.002389 0.003168 0.007211 0.003899 0.002573 0.003477 0.004971 0.005815 0.004718 0.002928 0.003097 0.002867 0.004216 0.007127 0.003984 0.002896 0.013461 0.005915 0.006552 0.003433 0.011858 0.007448 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID 2AP 1.95 110.053 0 0 IND 9.29 118.273 0 0 Nam 1.86 123.057 0 0 Na 1.82 124.021 0 0 PA 1.56 124.091 0 0 IAld 9.26 146.12 0 0 TRM 5.87 161.053 0 0 IEt 9.62 162.057 0 0 I3CA 9.29 162.069 0 0 IAM 7.62 175.054 0 0 IAA 9.66 176.087 0 0 Ser 2.83 177.122 0 0 IArA 10.2 188.023 0 0 IPA 10.2 189.993 0 0 KynA 6.78 190.031 0 0 5-HIAA 6.22 192.048 0 0 Trp 5.86 205.037 0 0 XA 6.48 206.054 0 0 ILA 8.95 206.081 0 0 Kyn 3.63 209.089 0 0 NAS 6.41 219.108 0 0 METABOLITES_END #END