#METABOLOMICS WORKBENCH jravilap_20220802_112810 DATATRACK_ID:3380 STUDY_ID:ST002246 ANALYSIS_ID:AN003666 PROJECT_ID:PR001434 VERSION 1 CREATED_ON August 9, 2022, 8:09 am #PROJECT PR:PROJECT_TITLE Longitudinal fecal metabolomic profiles from mothers and their infants in the PR:PROJECT_TITLE EDIA study PR:PROJECT_TYPE Metabolomic profiling of human fecal samples PR:PROJECT_SUMMARY In a cohort consisting of 32 mother-infant dyads, we profiled the fecal PR:PROJECT_SUMMARY metabolome at birth and at 3 and 6 months of infant age. Metagenomes from the PR:PROJECT_SUMMARY same samples were also generated. PR:INSTITUTE Broad Institute of MIT and Harvard PR:LAST_NAME Xavier PR:FIRST_NAME Ramnik PR:ADDRESS 415 Main Street PR:EMAIL rxavier@broadinstitute.org PR:PHONE 6177147080 PR:FUNDING_SOURCE National Institutes of Health (P30 DK043351), Juvenile Diabetes Research PR:FUNDING_SOURCE Foundation (grant 2-SRA-2016-492 247-S-B) PR:CONTRIBUTORS Tommi Vatanen, Karolina S. Jabbar, Terhi Ruohtula, Jarno Honkanen, Julian PR:CONTRIBUTORS Avila-Pacheco, Heli Siljander, Martin Stražar, Sami Oikarinen, Heikki Hyöty, PR:CONTRIBUTORS Jorma Ilonen, Caroline M. Mitchell, Moran Yassour, Suvi M. Virtanen, Clary B. PR:CONTRIBUTORS Clish, Damian R. Plichta, Hera Vlamakis, Mikael Knip, Ramnik J. Xavier #STUDY ST:STUDY_TITLE Longitudinal fecal metabolomic profiles from mothers and their infants in the ST:STUDY_TITLE EDIA study ST:STUDY_SUMMARY In a cohort consisting of 32 mother-infant dyads, we profiled the fecal ST:STUDY_SUMMARY metabolome at birth and at 3 and 6 months of infant age. Metagenomes from the ST:STUDY_SUMMARY same samples were also generated. ST:INSTITUTE Broad Institute of MIT and Harvard ST:LAST_NAME Xavier ST:FIRST_NAME Ramnik ST:ADDRESS 415 Main Street ST:EMAIL rxavier@broadinstitute.org ST:PHONE 617717084 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #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 M0038 300099 mother.child:Child RAW_FILE_NAME=0001_XAV_EDIA_HP-300099_realiquot.raw; RAW_FILE_NAME=0001_XAV_EDIA_CP-300099.raw; RAW_FILE_NAME=0001_XAV_EDIA_CN-300099.raw; RAW_FILE_NAME=0001_XAV_EDIA_HN_300099.raw SUBJECT_SAMPLE_FACTORS M0038 300186 mother.child:Child RAW_FILE_NAME=0002_XAV_EDIA_HP-300186_realiquot.raw; RAW_FILE_NAME=0002_XAV_EDIA_CP-300186.raw; RAW_FILE_NAME=0002_XAV_EDIA_CN-300186.raw; RAW_FILE_NAME=0002_XAV_EDIA_HN_300186.raw SUBJECT_SAMPLE_FACTORS M0038 300097 mother.child:Child RAW_FILE_NAME=0003_XAV_EDIA_HP-300097_realiquot.raw; RAW_FILE_NAME=0003_XAV_EDIA_CP-300097.raw; 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RAW_FILE_NAME=0133re_XAV_EDIA_CP-301271.raw; RAW_FILE_NAME=0133_XAV_EDIA_CN-301271.raw; RAW_FILE_NAME=0133_XAV_EDIA_HN_301271.raw SUBJECT_SAMPLE_FACTORS M0261 301068 mother.child:Mother RAW_FILE_NAME=0134_XAV_EDIA_HP-301068.raw; RAW_FILE_NAME=0134re_XAV_EDIA_CP-301068.raw; RAW_FILE_NAME=0134_XAV_EDIA_CN-301068.raw; RAW_FILE_NAME=0134_XAV_EDIA_HN_301068.raw SUBJECT_SAMPLE_FACTORS M0261 300381 mother.child:Mother RAW_FILE_NAME=0135_XAV_EDIA_HP-300381.raw; RAW_FILE_NAME=0135re_XAV_EDIA_CP-300381.raw; RAW_FILE_NAME=0135_XAV_EDIA_CN-300381.raw; RAW_FILE_NAME=0135_XAV_EDIA_HN_300381.raw SUBJECT_SAMPLE_FACTORS M0261 301065 mother.child:Child RAW_FILE_NAME=0136_XAV_EDIA_HP-301065.raw; RAW_FILE_NAME=0136re_XAV_EDIA_CP-301065.raw; RAW_FILE_NAME=0136_XAV_EDIA_CN-301065.raw; RAW_FILE_NAME=0136_XAV_EDIA_HN_301065.raw SUBJECT_SAMPLE_FACTORS M0261 300379 mother.child:Child RAW_FILE_NAME=0137_XAV_EDIA_HP-300379.raw; RAW_FILE_NAME=0137re_XAV_EDIA_CP-300379.raw; RAW_FILE_NAME=0137_XAV_EDIA_CN-300379.raw; RAW_FILE_NAME=0137_XAV_EDIA_HN_300379.raw SUBJECT_SAMPLE_FACTORS M0261 300378 mother.child:Child RAW_FILE_NAME=0138_XAV_EDIA_HP-300378.raw; RAW_FILE_NAME=0138re_XAV_EDIA_CP-300378.raw; RAW_FILE_NAME=0138_XAV_EDIA_CN-300378.raw; RAW_FILE_NAME=0138_XAV_EDIA_HN_300378.raw SUBJECT_SAMPLE_FACTORS M0059 300122 mother.child:Child RAW_FILE_NAME=0139_XAV_EDIA_HP-300122.raw; RAW_FILE_NAME=0139re_XAV_EDIA_CP-300122.raw; RAW_FILE_NAME=0139_XAV_EDIA_CN-300122.raw; RAW_FILE_NAME=0139_XAV_EDIA_HN_300122.raw SUBJECT_SAMPLE_FACTORS M0059 300126 mother.child:Mother RAW_FILE_NAME=0140_XAV_EDIA_HP-300126.raw; RAW_FILE_NAME=0140re_XAV_EDIA_CP-300126.raw; RAW_FILE_NAME=0140_XAV_EDIA_CN-300126.raw; RAW_FILE_NAME=0140_XAV_EDIA_HN_300126.raw SUBJECT_SAMPLE_FACTORS M0059 300220 mother.child:Child RAW_FILE_NAME=0141_XAV_EDIA_HP-300220.raw; RAW_FILE_NAME=0141re_XAV_EDIA_CP-300220.raw; RAW_FILE_NAME=0141_XAV_EDIA_CN-300220.raw; RAW_FILE_NAME=0141_XAV_EDIA_HN_300220.raw SUBJECT_SAMPLE_FACTORS M0059 300123 mother.child:Child RAW_FILE_NAME=0142_XAV_EDIA_HP-300123.raw; RAW_FILE_NAME=0142re_XAV_EDIA_CP-300123.raw; RAW_FILE_NAME=0142_XAV_EDIA_CN-300123.raw; RAW_FILE_NAME=0142_XAV_EDIA_HN_300123.raw SUBJECT_SAMPLE_FACTORS M0059 300127 mother.child:Mother RAW_FILE_NAME=0143_XAV_EDIA_HP-300127.raw; RAW_FILE_NAME=0143re_XAV_EDIA_CP-300127.raw; RAW_FILE_NAME=0143_XAV_EDIA_CN-300127.raw; RAW_FILE_NAME=0143_XAV_EDIA_HN_300127.raw SUBJECT_SAMPLE_FACTORS M0059 300125 mother.child:Child RAW_FILE_NAME=0144_XAV_EDIA_HP-300125.raw; RAW_FILE_NAME=0144re_XAV_EDIA_CP-300125.raw; RAW_FILE_NAME=0144_XAV_EDIA_CN-300125.raw; RAW_FILE_NAME=0144_XAV_EDIA_HN_300125.raw SUBJECT_SAMPLE_FACTORS M0808 301695 mother.child:Child RAW_FILE_NAME=0145_XAV_EDIA_HP-301695_realiquot.raw; RAW_FILE_NAME=0145re_XAV_EDIA_CP-301695.raw; RAW_FILE_NAME=0145_XAV_EDIA_CN-301695.raw; RAW_FILE_NAME=0145_XAV_EDIA_HN_301695.raw SUBJECT_SAMPLE_FACTORS M0808 301696 mother.child:Child RAW_FILE_NAME=0146_XAV_EDIA_HP-301696.raw; RAW_FILE_NAME=0146re_XAV_EDIA_CP-301696.raw; RAW_FILE_NAME=0146_XAV_EDIA_CN-301696.raw; RAW_FILE_NAME=0146_XAV_EDIA_HN_301696.raw SUBJECT_SAMPLE_FACTORS M0808 301699 mother.child:Mother RAW_FILE_NAME=0147_XAV_EDIA_HP-301699.raw; RAW_FILE_NAME=0147re_XAV_EDIA_CP-301699.raw; RAW_FILE_NAME=0147_XAV_EDIA_CN-301699.raw; RAW_FILE_NAME=0147_XAV_EDIA_HN_301699.raw SUBJECT_SAMPLE_FACTORS M0808 301698 mother.child:Child RAW_FILE_NAME=0148_XAV_EDIA_HP-301698.raw; RAW_FILE_NAME=0148re_XAV_EDIA_CP-301698.raw; RAW_FILE_NAME=0148_XAV_EDIA_CN-301698.raw; RAW_FILE_NAME=0148_XAV_EDIA_HN_301698.raw SUBJECT_SAMPLE_FACTORS M0808 301432 mother.child:Mother RAW_FILE_NAME=0149_XAV_EDIA_HP-301432.raw; RAW_FILE_NAME=0149re_XAV_EDIA_CP-301432.raw; RAW_FILE_NAME=0149_XAV_EDIA_CN-301432.raw; RAW_FILE_NAME=0149_XAV_EDIA_HN_301432.raw SUBJECT_SAMPLE_FACTORS M0808 301936 mother.child:Child RAW_FILE_NAME=0150_XAV_EDIA_HP-301936.raw; RAW_FILE_NAME=0150re_XAV_EDIA_CP-301936.raw; RAW_FILE_NAME=0150_XAV_EDIA_CN-301936.raw; RAW_FILE_NAME=0150_XAV_EDIA_HN_301936.raw SUBJECT_SAMPLE_FACTORS M0450 301265 mother.child:Mother RAW_FILE_NAME=0151_XAV_EDIA_HP-301265.raw; RAW_FILE_NAME=0151re_XAV_EDIA_CP-301265.raw; RAW_FILE_NAME=0151_XAV_EDIA_CN-301265.raw; RAW_FILE_NAME=0151_XAV_EDIA_HN_301265.raw SUBJECT_SAMPLE_FACTORS M0450 301562 mother.child:Child RAW_FILE_NAME=0152_XAV_EDIA_HP-301562.raw; RAW_FILE_NAME=0152re_XAV_EDIA_CP-301562.raw; RAW_FILE_NAME=0152_XAV_EDIA_CN-301562.raw; RAW_FILE_NAME=0152_XAV_EDIA_HN_301562.raw SUBJECT_SAMPLE_FACTORS M0450 301266 mother.child:Mother RAW_FILE_NAME=0153_XAV_EDIA_HP-301266.raw; RAW_FILE_NAME=0153re_XAV_EDIA_CP-301266.raw; RAW_FILE_NAME=0153_XAV_EDIA_CN-301266.raw; RAW_FILE_NAME=0153_XAV_EDIA_HN_301266.raw SUBJECT_SAMPLE_FACTORS M0450 301264 mother.child:Child RAW_FILE_NAME=0154_XAV_EDIA_HP-301264.raw; RAW_FILE_NAME=0154re_XAV_EDIA_CP-301264.raw; RAW_FILE_NAME=0154_XAV_EDIA_CN-301264.raw; RAW_FILE_NAME=0154_XAV_EDIA_HN_301264.raw SUBJECT_SAMPLE_FACTORS M0450 301262 mother.child:Child RAW_FILE_NAME=0155_XAV_EDIA_HP-301262.raw; RAW_FILE_NAME=0155re_XAV_EDIA_CP-301262.raw; RAW_FILE_NAME=0155_XAV_EDIA_CN-301262.raw; RAW_FILE_NAME=0155_XAV_EDIA_HN_301262.raw SUBJECT_SAMPLE_FACTORS M0450 301261 mother.child:Child RAW_FILE_NAME=0156_XAV_EDIA_HP-301261.raw; RAW_FILE_NAME=0156re_XAV_EDIA_CP-301261.raw; RAW_FILE_NAME=0156_XAV_EDIA_CN-301261.raw; RAW_FILE_NAME=0156_XAV_EDIA_HN_301261.raw SUBJECT_SAMPLE_FACTORS M0740 301679 mother.child:Child RAW_FILE_NAME=0157_XAV_EDIA_HP-301679.raw; RAW_FILE_NAME=0157re_XAV_EDIA_CP-301679.raw; RAW_FILE_NAME=0157_XAV_EDIA_CN-301679.raw; RAW_FILE_NAME=0157_XAV_EDIA_HN_301679.raw SUBJECT_SAMPLE_FACTORS M0740 301404 mother.child:Mother RAW_FILE_NAME=0158_XAV_EDIA_HP-301404.raw; RAW_FILE_NAME=0158re_XAV_EDIA_CP-301404.raw; RAW_FILE_NAME=0158_XAV_EDIA_CN-301404.raw; RAW_FILE_NAME=0158_XAV_EDIA_HN_301404.raw SUBJECT_SAMPLE_FACTORS M0740 301401 mother.child:Child RAW_FILE_NAME=0159_XAV_EDIA_HP-301401.raw; RAW_FILE_NAME=0159re_XAV_EDIA_CP-301401.raw; RAW_FILE_NAME=0159_XAV_EDIA_CN-301401.raw; RAW_FILE_NAME=0159_XAV_EDIA_HN_301401.raw SUBJECT_SAMPLE_FACTORS M0740 301400 mother.child:Child RAW_FILE_NAME=0160_XAV_EDIA_HP-301400.raw; RAW_FILE_NAME=0160re_XAV_EDIA_CP-301400.raw; RAW_FILE_NAME=0160_XAV_EDIA_CN-301400.raw; RAW_FILE_NAME=0160_XAV_EDIA_HN_301400.raw SUBJECT_SAMPLE_FACTORS M0740 301403 mother.child:Child RAW_FILE_NAME=0161_XAV_EDIA_HP-301403.raw; RAW_FILE_NAME=0161re_XAV_EDIA_CP-301403.raw; RAW_FILE_NAME=0161_XAV_EDIA_CN-301403.raw; RAW_FILE_NAME=0161_XAV_EDIA_HN_301403.raw SUBJECT_SAMPLE_FACTORS M0740 301405 mother.child:Mother RAW_FILE_NAME=0162_XAV_EDIA_HP-301405.raw; RAW_FILE_NAME=0162re_XAV_EDIA_CP-301405.raw; RAW_FILE_NAME=0162_XAV_EDIA_CN-301405.raw; RAW_FILE_NAME=0162_XAV_EDIA_HN_301405.raw SUBJECT_SAMPLE_FACTORS M0369 301054 mother.child:Child RAW_FILE_NAME=0163_XAV_EDIA_HP-301054.raw; RAW_FILE_NAME=0163re_XAV_EDIA_CP-301054.raw; RAW_FILE_NAME=0163_XAV_EDIA_CN-301054.raw; RAW_FILE_NAME=0163_XAV_EDIA_HN_301054.raw SUBJECT_SAMPLE_FACTORS M0369 300396 mother.child:Mother RAW_FILE_NAME=0164_XAV_EDIA_HP-300396.raw; RAW_FILE_NAME=0164re_XAV_EDIA_CP-300396.raw; RAW_FILE_NAME=0164_XAV_EDIA_CN-300396.raw; RAW_FILE_NAME=0164_XAV_EDIA_HN_300396.raw SUBJECT_SAMPLE_FACTORS M0369 301056 mother.child:Child RAW_FILE_NAME=0165_XAV_EDIA_HP-301056.raw; RAW_FILE_NAME=0165re_XAV_EDIA_CP-301056.raw; RAW_FILE_NAME=0165_XAV_EDIA_CN-301056.raw; RAW_FILE_NAME=0165_XAV_EDIA_HN_301056.raw SUBJECT_SAMPLE_FACTORS M0369 301052 mother.child:Mother RAW_FILE_NAME=0166_XAV_EDIA_HP-301052.raw; RAW_FILE_NAME=0166re_XAV_EDIA_CP-301052.raw; RAW_FILE_NAME=0166_XAV_EDIA_CN-301052.raw; RAW_FILE_NAME=0166_XAV_EDIA_HN_301052.raw SUBJECT_SAMPLE_FACTORS M0369 301239 mother.child:Child RAW_FILE_NAME=0167_XAV_EDIA_HP-301239.raw; RAW_FILE_NAME=0167re_XAV_EDIA_CP-301239.raw; RAW_FILE_NAME=0167_XAV_EDIA_CN-301239.raw; RAW_FILE_NAME=0167_XAV_EDIA_HN_301239.raw SUBJECT_SAMPLE_FACTORS M0369 301053 mother.child:Child RAW_FILE_NAME=0168_XAV_EDIA_HP-301053.raw; RAW_FILE_NAME=0168re_XAV_EDIA_CP-301053.raw; RAW_FILE_NAME=0168_XAV_EDIA_CN-301053.raw; RAW_FILE_NAME=0168_XAV_EDIA_HN_301053.raw SUBJECT_SAMPLE_FACTORS M0744 301564 mother.child:Mother RAW_FILE_NAME=0169_XAV_EDIA_HP-301564.raw; RAW_FILE_NAME=0169re_XAV_EDIA_CP-301564.raw; RAW_FILE_NAME=0169_XAV_EDIA_CN-301564.raw; RAW_FILE_NAME=0169_XAV_EDIA_HN_301564.raw SUBJECT_SAMPLE_FACTORS M0744 301565 mother.child:Child RAW_FILE_NAME=0170_XAV_EDIA_HP-301565.raw; RAW_FILE_NAME=0170re_XAV_EDIA_CP-301565.raw; RAW_FILE_NAME=0170_XAV_EDIA_CN-301565.raw; RAW_FILE_NAME=0170_XAV_EDIA_HN_301565.raw SUBJECT_SAMPLE_FACTORS M0744 301566 mother.child:Child RAW_FILE_NAME=0171_XAV_EDIA_HP-301566.raw; RAW_FILE_NAME=0171re_XAV_EDIA_CP-301566.raw; RAW_FILE_NAME=0171_XAV_EDIA_CN-301566.raw; RAW_FILE_NAME=0171_XAV_EDIA_HN_301566.raw SUBJECT_SAMPLE_FACTORS M0744 301563 mother.child:Mother RAW_FILE_NAME=0172_XAV_EDIA_HP-301563.raw; RAW_FILE_NAME=0172re_XAV_EDIA_CP-301563.raw; RAW_FILE_NAME=0172_XAV_EDIA_CN-301563.raw; RAW_FILE_NAME=0172_XAV_EDIA_HN_301563.raw SUBJECT_SAMPLE_FACTORS M0744 301568 mother.child:Child RAW_FILE_NAME=0173_XAV_EDIA_HP-301568.raw; RAW_FILE_NAME=0173re_XAV_EDIA_CP-301568.raw; RAW_FILE_NAME=0173_XAV_EDIA_CN-301568.raw; RAW_FILE_NAME=0173_XAV_EDIA_HN_301568.raw SUBJECT_SAMPLE_FACTORS M0744 301806 mother.child:Child RAW_FILE_NAME=0174_XAV_EDIA_HP-301806.raw; RAW_FILE_NAME=0174re_XAV_EDIA_CP-301806.raw; RAW_FILE_NAME=0174_XAV_EDIA_CN-301806.raw; RAW_FILE_NAME=0174_XAV_EDIA_HN_301806.raw SUBJECT_SAMPLE_FACTORS M0018 300034 mother.child:Mother RAW_FILE_NAME=0175_XAV_EDIA_HP-300034.raw; RAW_FILE_NAME=0175re_XAV_EDIA_CP-300034.raw; RAW_FILE_NAME=0175_XAV_EDIA_CN-300034.raw; RAW_FILE_NAME=0175_XAV_EDIA_HN_300034.raw SUBJECT_SAMPLE_FACTORS M0018 300171 mother.child:Child RAW_FILE_NAME=0176_XAV_EDIA_HP-300171.raw; RAW_FILE_NAME=0176re_XAV_EDIA_CP-300171.raw; RAW_FILE_NAME=0176_XAV_EDIA_CN-300171.raw; RAW_FILE_NAME=0176_XAV_EDIA_HN_300171.raw SUBJECT_SAMPLE_FACTORS M0018 300085 mother.child:Child RAW_FILE_NAME=0177_XAV_EDIA_HP-300085.raw; RAW_FILE_NAME=0177re_XAV_EDIA_CP-300085.raw; RAW_FILE_NAME=0177_XAV_EDIA_CN-300085.raw; RAW_FILE_NAME=0177_XAV_EDIA_HN_300085.raw SUBJECT_SAMPLE_FACTORS M0018 300081 mother.child:Child RAW_FILE_NAME=0178_XAV_EDIA_HP-300081.raw; RAW_FILE_NAME=0178re_XAV_EDIA_CP-300081.raw; RAW_FILE_NAME=0178_XAV_EDIA_CN-300081.raw; RAW_FILE_NAME=0178_XAV_EDIA_HN_300081.raw SUBJECT_SAMPLE_FACTORS M0018 300082 mother.child:Child RAW_FILE_NAME=0179_XAV_EDIA_HP-300082.raw; RAW_FILE_NAME=0179re_XAV_EDIA_CP-300082.raw; RAW_FILE_NAME=0179_XAV_EDIA_CN-300082.raw; RAW_FILE_NAME=0179_XAV_EDIA_HN_300082.raw SUBJECT_SAMPLE_FACTORS M0018 300083 mother.child:Mother RAW_FILE_NAME=0180_XAV_EDIA_HP-300083.raw; RAW_FILE_NAME=0180re_XAV_EDIA_CP-300083.raw; RAW_FILE_NAME=0180_XAV_EDIA_CN-300083.raw; RAW_FILE_NAME=0180_XAV_EDIA_HN_300083.raw SUBJECT_SAMPLE_FACTORS M0792 301485 mother.child:Child RAW_FILE_NAME=0181_XAV_EDIA_HP-301485.raw; RAW_FILE_NAME=0181re_XAV_EDIA_CP-301485.raw; RAW_FILE_NAME=0181_XAV_EDIA_CN-301485.raw; RAW_FILE_NAME=0181_XAV_EDIA_HN_301485.raw SUBJECT_SAMPLE_FACTORS M0792 301739 mother.child:Child RAW_FILE_NAME=0182_XAV_EDIA_HP-301739.raw; RAW_FILE_NAME=0182re_XAV_EDIA_CP-301739.raw; RAW_FILE_NAME=0182_XAV_EDIA_CN-301739.raw; RAW_FILE_NAME=0182_XAV_EDIA_HN_301739.raw SUBJECT_SAMPLE_FACTORS M0792 301484 mother.child:Child RAW_FILE_NAME=0183_XAV_EDIA_HP-301484.raw; RAW_FILE_NAME=0183re_XAV_EDIA_CP-301484.raw; RAW_FILE_NAME=0183_XAV_EDIA_CN-301484.raw; RAW_FILE_NAME=0183_XAV_EDIA_HN_301484.raw SUBJECT_SAMPLE_FACTORS M0792 301487 mother.child:Child RAW_FILE_NAME=0184_XAV_EDIA_HP-301487.raw; RAW_FILE_NAME=0184re_XAV_EDIA_CP-301487.raw; RAW_FILE_NAME=0184_XAV_EDIA_CN-301487.raw; RAW_FILE_NAME=0184_XAV_EDIA_HN_301487.raw SUBJECT_SAMPLE_FACTORS M0792 301483 mother.child:Mother RAW_FILE_NAME=0185_XAV_EDIA_HP-301483.raw; RAW_FILE_NAME=0185re_XAV_EDIA_CP-301483.raw; RAW_FILE_NAME=0185_XAV_EDIA_CN-301483.raw; RAW_FILE_NAME=0185_XAV_EDIA_HN_301483.raw SUBJECT_SAMPLE_FACTORS M0792 301482 mother.child:Mother RAW_FILE_NAME=0186_XAV_EDIA_HP-301482.raw; RAW_FILE_NAME=0186re_XAV_EDIA_CP-301482.raw; RAW_FILE_NAME=0186_XAV_EDIA_CN-301482.raw; RAW_FILE_NAME=0186_XAV_EDIA_HN_301482.raw SUBJECT_SAMPLE_FACTORS M0568 301276 mother.child:Child RAW_FILE_NAME=0187_XAV_EDIA_HP-301276.raw; RAW_FILE_NAME=0187re_XAV_EDIA_CP-301276.raw; RAW_FILE_NAME=0187_XAV_EDIA_CN-301276.raw; RAW_FILE_NAME=0187_XAV_EDIA_HN_301276.raw SUBJECT_SAMPLE_FACTORS M0568 301274 mother.child:Mother RAW_FILE_NAME=0188_XAV_EDIA_HP-301274.raw; RAW_FILE_NAME=0188re_XAV_EDIA_CP-301274.raw; RAW_FILE_NAME=0188_XAV_EDIA_CN-301274.raw; RAW_FILE_NAME=0188_XAV_EDIA_HN_301274.raw SUBJECT_SAMPLE_FACTORS M0568 301275 mother.child:Child RAW_FILE_NAME=0189_XAV_EDIA_HP-301275.raw; RAW_FILE_NAME=0189re_XAV_EDIA_CP-301275.raw; RAW_FILE_NAME=0189_XAV_EDIA_CN-301275.raw; RAW_FILE_NAME=0189_XAV_EDIA_HN_301275.raw SUBJECT_SAMPLE_FACTORS M0568 301278 mother.child:Child RAW_FILE_NAME=0190_XAV_EDIA_HP-301278.raw; RAW_FILE_NAME=0190re_XAV_EDIA_CP-301278.raw; RAW_FILE_NAME=0190_XAV_EDIA_CN-301278.raw; RAW_FILE_NAME=0190_XAV_EDIA_HN_301278.raw SUBJECT_SAMPLE_FACTORS M0568 301776 mother.child:Child RAW_FILE_NAME=0191_XAV_EDIA_HP-301776.raw; RAW_FILE_NAME=0191re_XAV_EDIA_CP-301776.raw; RAW_FILE_NAME=0191_XAV_EDIA_CN-301776.raw; RAW_FILE_NAME=0191_XAV_EDIA_HN_301776.raw SUBJECT_SAMPLE_FACTORS M0568 301029 mother.child:Mother RAW_FILE_NAME=0192_XAV_EDIA_HP-301029.raw; RAW_FILE_NAME=0192re_XAV_EDIA_CP-301029.raw; RAW_FILE_NAME=0192_XAV_EDIA_CN-301029.raw; RAW_FILE_NAME=0192_XAV_EDIA_HN_301029.raw #COLLECTION CO:COLLECTION_SUMMARY The participating women collected stool samples at home or in the delivery CO:COLLECTION_SUMMARY hospital. Infant stool samples were collected by the mothers at home and stored CO:COLLECTION_SUMMARY in the household freezer (−20°C) until the next visit to the study center. CO:COLLECTION_SUMMARY The samples were then shipped on dry ice to the EDIA Core Laboratory in CO:COLLECTION_SUMMARY Helsinki, where the samples were stored at −80°C. CO:SAMPLE_TYPE Feces #TREATMENT TR:TREATMENT_SUMMARY NA #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Stool samples were homogenized in 10 μL of water per milligram stool sample SP:SAMPLEPREP_SUMMARY weight using a bead mill (TissueLyser II; Qiagen) and the aqueous homogenates SP:SAMPLEPREP_SUMMARY were aliquoted for metabolite profiling analyses. LC-MS samples were prepared SP:SAMPLEPREP_SUMMARY for four profiling methods as follows: HILIC-pos: Metabolites were extracted by SP:SAMPLEPREP_SUMMARY adding 90 μL of 74.9:24.9:0.2 v/v/v acetonitrile/methanol/formic acid SP:SAMPLEPREP_SUMMARY containing stable isotope-labeled internal standards (valine-d8, Isotec; and SP:SAMPLEPREP_SUMMARY phenylalanine-d8, Cambridge Isotope Laboratories; Andover, MA) to a 10 μL SP:SAMPLEPREP_SUMMARY aliquot of stool homogenate or plasma. Samples were vortexed and then SP:SAMPLEPREP_SUMMARY centrifuged (10 min, 9,000 x g, 4°C) to pellet protein precipitates. SP:SAMPLEPREP_SUMMARY Supernatants were transferred to glass autosampler vials containing inserts for SP:SAMPLEPREP_SUMMARY LC-MS analysis. C8-pos: Lipids were extracted by adding 190 μL of isopropanol SP:SAMPLEPREP_SUMMARY containing 1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphocholine as an internal SP:SAMPLEPREP_SUMMARY standard (Avanti Polar Lipids; Alabaster, AL) to a 10 μL aliquot of stool SP:SAMPLEPREP_SUMMARY homogenate or plasma. Samples were vortexed and then centrifuged (10 min, 9,000 SP:SAMPLEPREP_SUMMARY x g, ambient temperature) to pellet protein precipitates. Supernatants were SP:SAMPLEPREP_SUMMARY transferred to glass autosampler vials containing inserts for LC-MS analysis. SP:SAMPLEPREP_SUMMARY HILIC-neg: Metabolites were extracted by adding 120 μL of 80% methanol SP:SAMPLEPREP_SUMMARY containing inosine-15N4, thymine-d4 and glycocholate-d4 internal standards SP:SAMPLEPREP_SUMMARY (Cambridge Isotope Laboratories; Andover, MA) to a 30 μL aliquot of stool SP:SAMPLEPREP_SUMMARY homogenate or plasma. Samples were vortexed and then centrifuged (10 min, 9,000 SP:SAMPLEPREP_SUMMARY x g, 4°C) to pellet protein precipitates. Supernatants were transferred to SP:SAMPLEPREP_SUMMARY glass autosampler vials containing inserts for LC-MS analysis. C18-neg: SP:SAMPLEPREP_SUMMARY Metabolites were extracted by adding 90 μL of methanol containing PGE2-d4 as an SP:SAMPLEPREP_SUMMARY internal standard (Cayman Chemical Co.; Ann Arbor, MI) to a 30 μL aliquot of SP:SAMPLEPREP_SUMMARY stool homogenate or plasma. Samples were vortexed and then centrifuged (10 min, SP:SAMPLEPREP_SUMMARY 9,000 x g, 4°C) to pellet protein precipitates. Supernatants were transferred SP:SAMPLEPREP_SUMMARY to glass autosampler vials containing inserts for LC-MS analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Shimadzu Nexera X2 CH:COLUMN_NAME Waters Atlantis HILIC (150 x 2 mm, 3 μm) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Raw data were processed using TraceFinder 3.3 software (Thermo Fisher MS:MS_COMMENTS Scientific; Waltham, MA) and Progenesis QI (Nonlinear Dynamics; Newcastle upon MS:MS_COMMENTS Tyne, UK). Metabolite identities were confirmed using authentic reference MS:MS_COMMENTS standards or reference samples. MS:MS_RESULTS_FILE ST002246_AN003666_Results.txt UNITS:Unitless Abundances Has m/z:Yes Has RT:Yes RT units:Minutes #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Unitless Abundances MS_METABOLITE_DATA_START Samples 300099 300186 300097 300047 300095 300096 301071 300382 300385 300383 300386 300256 301646 301174 301176 301173 301178 301175 301582 301089 301087 301088 301086 301091 300365 301020 301022 301250 301021 301024 301613 301124 301123 300439 301126 301127 300278 300279 300282 300419 300281 300283 301865 301864 301637 301868 301867 302526 301290 301540 301547 301541 301545 301816 300112 300110 300109 300111 300066 300211 300513 300508 300512 300509 301151 300511 301031 301035 301236 300390 301032 301033 301082 301340 300420 301083 301081 301085 300421 301098 301103 301101 301330 301099 300476 300472 300474 301132 300471 300473 300234 300148 300150 300070 300147 300151 300350 300352 300505 300236 300349 300348 300202 300203 300199 300200 300299 300198 301293 301837 301537 301834 301534 301535 301003 301002 301001 301005 300322 301181 301047 301051 301048 301046 301253 301049 301490 301809 301492 301260 301488 301489 301271 301068 300381 301065 300379 300378 300122 300126 300220 300123 300127 300125 301695 301696 301699 301698 301432 301936 301265 301562 301266 301264 301262 301261 301679 301404 301401 301400 301403 301405 301054 300396 301056 301052 301239 301053 301564 301565 301566 301563 301568 301806 300034 300171 300085 300081 300082 300083 301485 301739 301484 301487 301483 301482 301276 301274 301275 301278 301776 301029 Factors mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Mother phenylalanine-d8 2800913 654623 2334360 1973292 1746822 2905845 908234 2240935 948385 1860884 917446 1251255 1840816 1628157 2319739 1397828 2466119 2406705 1901034 2026867 733094 2378352 1050568 2018132 1560294 1629530 1407184 1683605 2039635 2228691 2083598 1885042 1784067 1375117 2059757 992954 1812231 1352407 961487 1646090 2056901 843885 1771821 1599937 1764662 1047443 1090205 1228755 1520958 1866047 885239 2136830 2398259 1368380 2179381 1459285 1749128 2043553 2016206 1503640 1005597 1899515 1269332 2023954 1791882 940633 1370089 1207873 1598269 2213062 2683994 1474633 1505142 1437580 973734 1118779 953845 1740876 2075943 1846061 1641985 1766347 1685157 1747298 1934156 1520338 2647328 1789543 1550428 1522275 1231230 1788316 928856 1728884 1924964 1596424 1463644 847652 1414516 911169 1481190 1049766 1626226 1152040 1680800 1249952 1649404 1270519 760898 1656468 561346 939232 1531138 1947286 1765542 2129624 1117889 1715219 913195 1466774 1574190 1804829 1861483 1215933 1988563 1550689 1059987 2280014 1246812 1759553 1034987 2083249 1957287 791791 1133340 1960338 1683796 2614930 1979360 990465 1772664 1683386 1205589 1427874 1618514 2107863 1257143 1784371 2405540 1155400 741177 1034727 967021 2598913 2054802 1798898 1815257 1448245 2030087 2584086 2487968 2080577 1859558 1041338 1498412 971952 1454802 1715798 938291 1499755 1935405 1017932 1826452 1368638 1450470 1139634 2010685 2471038 3022567 979764 2360026 1183320 2159564 1980476 1200871 1867844 2035618 1042676 1007543 2452840 1963583 1503342 valine-d8 1283916 268483 1052363 866210 750791 1251247 391848 978734 369706 818766 393149 519955 695754 625099 1030140 588154 977535 1014309 815933 790674 289159 1054975 427224 858935 659669 691016 624552 711988 877623 1030412 946428 978260 966984 605807 1053481 422791 957532 584229 400998 756136 1325382 339896 836777 756664 871761 461873 455336 508680 722621 834597 384111 957096 1085230 566377 941374 598228 821389 934767 969153 554126 402679 836442 539141 991936 780240 370688 518095 462731 692419 838656 1130881 586873 670942 545622 404024 456763 395181 766856 934962 706636 696812 723230 647953 760242 987942 651707 1108954 821910 637025 581746 424398 755059 377763 735707 858926 638558 607426 259104 571795 375973 649375 428946 734080 475324 714140 585691 858282 514785 315252 726270 231094 361117 775400 898260 869047 973355 466669 691665 389869 637153 648886 813130 869261 508906 902447 746189 402974 1047030 465172 780296 421380 895504 879486 348738 490423 947737 736767 1296491 796565 419894 772390 706717 518431 608432 685311 993271 529801 752033 987999 450331 314589 416611 401696 1227564 851519 768336 949482 557333 866223 1252962 1174937 839684 823237 464652 609204 419150 636762 771129 347614 643166 895366 416838 828433 590076 604069 398986 783153 1237715 1477485 408923 1026807 484839 969516 804401 476047 811172 883040 441543 435938 1019456 826058 638638 "1,7-dimethyluric acid" 172886 20603 266884 38802 352185 120913 109949 400257 732908 56774 198589 95305 27527 10797 30817 17188 17124 41228 228504 225948 936457 872356 609794 296553 8014 660 9569 9721 190896 71004 119261 186756 102220 19674 581180 425528 59620 83124 34958 54896 123876 133877 113120 433742 363050 889693 245541 123107 183759 123787 406967 232836 195392 208414 110993 17607 134612 19370 162394 12620 147432 573999 5657 481261 193176 278093 137351 19239 245 203615 649150 124207 688208 155966 11210 1049057 14364 15706 54125 370855 271195 145563 211182 419304 920534 1097344 962652 315152 61605 1098216 76768 392307 502245 169169 598320 56242 1177220 474294 151737 8609 804668 6351 563101 5078 508916 305374 929712 4141 16053 143764 19549 455800 238287 785238 98288 132115 287276 231803 105523 26825 689864 223373 557307 305405 199886 127728 52771 163741 221917 8872 6362 15016 253564 9580 68616 347630 559588 717963 175516 7038 30058 146563 50173 106893 1778475 1909286 612429 646265 93572 107861 285876 480752 264663 120439 405609 737206 5786 15043 16826 642 6639 450656 9226 112672 27629 83 204161 190341 300754 66604 141431 205428 182857 66089 30668 36413 98760 38266 7451 36854 18089 17246 33705 121873 17132 2235690 794481 2648827 1530117 667102 107108 1-methyladenosine 1436 3618 3700 150 2574 10000 28506 2008 33451 12778 21205 76014 241925 514 2148 7244 19305 13092 378 63126 3813 13164 9825 25658 7799 1712 3883 939 1354 20116 83 2041 14407 3965 6270 1186 4718 13065 3386 3294 1672 13088 3994 80035 50717 1026 120684 598 21116 2627 96033 4175 29313 19530 7906 2726 3819 92032 451 554849 5364 58 173 2 4158 2590 327 6201 3034 36000 19254 2978 11608 1773 2801 3346 4223 8228 2712 49 7596 1319 10273 336 308 1512 2047 9031 4039 2607 114 1436 317 10099 1217 1306 21832 5642 35743 3878 156 1060 4046 8466 5704 8456 19769 3945 15278 33011 11361 8885 33105 477 152 1569 2103 1030 900 1871 2278 123 5438 2893 71505 35875 142 2201 1698 3519 8431 14830 19507 5582 11544 4201 16452 8968 2524 15496 750 4529 79096 21920 961 1159 1416 8959 476 17057 1717 11731 590 2401 75771 7679 1279 12466 13978 2892 36522 53245 32559 5803 1-methylguanine 411370 76740 91687 50670 82831 3264 494918 109096 45760 326575 247349 165541 303673 43995 247822 83917 189154 44163 2893212 55042 32145 29936 54356 294671 136926 131975 3109426 636299 613310 968836 1953243 847115 499051 36462 1964701 31355 603175 231608 60156 65892 83241 31349 248783 48242 32053 36352 335743 268100 108021 208537 43906 128051 92231 197362 112261 21465 31319 44021 31500 52994 13105 35369 23818 262008 20752 158747 45555 36360 123175 63238 4718971 171460 896805 378174 19118 1306036 7472 1437344 24467 37827 51927 328674 134617 300591 223206 31719 872952 9348 53576 145521 138365 67074 7823 18234 66978 63593 121706 161162 26080 9496 40351 28814 27728 23928 359282 482493 928195 29735 5218 92797 4281 291551 28268 1911202 157316 80944 83769 244093 61103 443426 67208 38447 515252 39834 25430 207180 296160 36483 717838 33942 70860 177661 3247230 5963 38808 3073457 2275671 1215164 40270 43617 60461 153501 92350 208781 138763 1495208 40982 2372427 65424 51490 18492 126927 16491 306700 265164 335483 30696 129995 308316 166123 101282 479671 23097 18265 23975 3448 113489 96464 17746 296934 136674 13646 810649 92359 23883 143552 19749 119878 26465 62655 253386 229776 407366 869537 8724 1102273 11190 27455 4094 158460 328211 6871 1-methylguanosine 1241 3020 2389 14113 6658 6 67599 1841 11649 22756 57806 58372 106154 3095 264319 27333 174608 86509 49582 3247 12128 1243 24841 21230 73989 6277 1114 169930 11351 25499 50310 25186 2008 9669 269 3470 9592 28524 417 9069 5140 89528 15876 32843 11344 5454 123677 10988 9663 35222 139725 4836 398386 43612 7824 352100 18192 30994 10988 282177 59808 294600 10337 280867 15894 7962 36760 51050 131372 2173 9359 6110 3391 15600 2038 16260 5473 1875 10334 3808 3316 2414 8125 19367 25758 6800 7467 7021 6921 2558 20628 16740 1981 2760 42588 10632 21266 1835 4983 10775 7049 6431 483 3036 656554 5337 5271 42874 3276 13177 46269 150373 3728 193326 10677 731315 16712 4476 3353 4677 78707 19675 9049 6929 834019 11362 6370 19256 25770 310988 23998 1792 3626 43424 36585 38081 12331 10631 1800 189 4582 6654 6651 10080 8394 21251 86664 599 2211 4709 3744 3132 4432 5089 3498 18915 223398 102866 73279 30593 132 10592 2496 3838 106407 71613 10173 24522 2452 6423 483 31862 25028 181773 3481 761 22 32977 888 23393 78952 63554 1721 62532 57160 7968 160008 31558 445252 43147 1-methylhistamine 41 60 734 1464 4336 583 515 67 1141 29890 31869 2813 14036 257 102679 2835 9228 1432 1267 6803 4751 5781 91 14440 583 4804 1788 554 506 1332 2155 1622 11630 16993 10227 10742 14712 19350 2799 738 453 2350 6261 3604 1146 911 702 10678 16452 4026 16508 1475 4781 70 13021 655 10130 32323 80289 68 3476 16306 39093 7351 3472 203 1288 863 128 12378 376 2547 2862 904 2542 2159 1451 249 811 2461 6167 225 471 1268 30984 2076 390 1643 96 2715 947 10 487 1682 1150 103 1183 250 1617 1598 4679 2159 1118 24515 1420 13869 4788 294 5833 417 29871 976 546 7827 120567 4827 154 2081 154 1225 476 1219 115 769 71 23 7979 1237 2634 58 2043 155 2007 1618 4731 5227 1922 37 411 946 36488 89 115 132 2228 3520 472 14525 11970 1984 2738 13959 56 7844 253 143 319 6033 62 91 2354 156 10367 142 1169 496 455 35639 4578 1-methylhistidine 6882341 2493103 6480990 4713015 4087866 6867374 3651051 8533164 2046416 6007238 2491367 3661623 7343715 3933512 5885734 1314975 6322713 5809332 4637441 7881249 1639482 5518499 1944145 6623752 3592732 4065010 4517122 7012097 5457008 6086442 6886242 5823097 6082070 3469990 6216359 2274767 5537630 6013078 2284898 4831789 5371794 1724914 7266343 6832997 4278649 2818027 3832994 3944354 3234412 10203177 1906122 7264747 6874958 4639663 7806007 6710446 3594243 10035075 4300252 6481628 2247734 12186677 2704533 8172785 5147331 3265232 3505335 3349226 8334495 5096347 30077995 5963232 9251685 3778357 2041584 6804666 2076438 11669758 4461502 6614643 3640410 5195271 5857728 6497858 5896744 4216056 8732241 5218414 3236399 2875622 3147267 4983634 2414397 3678137 6174062 4566376 6069687 2851079 4549689 2301889 5290403 2633066 5185938 2367645 4830056 4212360 3894256 4028474 1745464 4184137 1407138 5115401 5027565 9125762 6476677 6031724 3020362 10937451 2215799 3702225 569594 4585002 5614260 3437130 6319411 4681142 2056184 6012331 2948284 4218590 2623331 4683837 7768556 1497735 2013359 5648879 5991204 8030330 3990841 1806143 3263808 3248012 2072720 3813968 6784188 5357638 1824108 5296071 4162371 2672518 1224741 4416900 2096812 6674131 5985490 5808590 3931611 2609378 4462659 6294908 6111709 3894408 4267114 1817191 3088565 2062911 3923183 5173020 2157414 5323605 4816216 2411956 6230488 5216116 3988405 3587506 7646923 6956921 7790957 2844401 8611122 4082719 7798902 7275661 3103350 6264016 5447360 3236009 3290317 9876416 8144579 4214292 1-methylnicotinamide 1446 58 1409 4632 2398 833 31 319 3788 336 107 27795 302907 1518 257721 942 189631 559946 1143 1496621 1936 49128 8101 508 1891 1176 400035 313207 632893 211362 150750 173636 130055 5439 279958 3527 247158 1063900 39372 156737 141802 88625 98 1570985 110860 1797 61 64 4028 3409186 3940 494026 147514 541108 387029 2006945 7176 1406212 2541 597696 3429 2992983 2720 3351904 116327 103670 42509 673542 661889 1966 15257890 4781857 2370897 616 3568 1245211 2052 1630394 11189 86 3593 104 2679 235 490604 53484 634190 310517 17477 181940 922737 719661 138691 230967 447777 792609 586429 399232 568569 10853 611164 2499 249250 20220 248880 282360 263967 223781 7828 448 4801 983386 1718 1232538 558847 46278 189864 99423 193501 35991 148584 864225 48788 164663 455114 233304 484562 215 1391 3821 493107 4942 3191 4013 635 317871 160851 696521 2553 874 216 1760 141 229210 283469 3560 315020 16254 748448 3356 2408 108552 537718 654586 607353 134387 211822 303844 119441 116339 777827 1783 503067 3369 319787 467971 62512 901147 1034960 99891 1476704 178372 68661 310096 276004 773563 288826 154281 524503 363967 2011106 307841 111022 111847 498194 30831 400020 583375 250505 55660 2-aminoheptanoic acid 3344 3245 1504 734 1751 707 1416 533 720 1429 395 10185 8132 1520 7383 1987 1065 1593 1989 2561 1823 716 1415 914 1727 1405 1393 1002 898 2987 764 370 953 2104 660 1487 1813 31726 1381 1834 2599 1531 211 1249 9709 296 2063 4574 4298 2036 4186 1334 2136 1984 1102 1694 1901 5775 219 2258 476 1879 525 6404 429 44 552 1960 1340 1778 928 1868 1770 668 2526 1991 1146 9726 1563 1293 3438 694 1604 1495 613 1115 2563 868 851 2228 2515 732 610 1532 1883 1942 67 607 10267 3077 943 1674 958 1004 859 544 969 14162 1223 555 1358 967 2650 4059 2376 6960 1946 783 5847 1500 2509 3288 533 6900 3060 471 1666 284 2638 797 851 4772 7445 1707 3581 1743 2172 2542 1748 3981 1940 2960 1756 1312 1936 1609 2288 3482 1755 4115 976 1006 2883 2479 3527 2158 1578 1150 1336 1346 1534 1140 944 1057 893 1754 1297 605 1204 1329 1261 1063 911 969 1911 2141 2395 2514 628 1501 595 1665 1179 359 1422 1713 337 1146 3795 4205 921 2-deoxyadenosine 276795 417195 92551 81703 56386 99292 130647 24851 76786 12532 35397 81048 356293 28516 29663 45990 157148 20439 83977 78863 17395 55505 81578 100671 9236 46498 8821 60754 2999 28316 183382 27388 1177283 138769 5623 35766 17453 162509 88381 69540 26229 38790 171618 347829 81062 56736 253486 400892 197650 395731 17502 314306 286031 1229158 386843 239687 162142 150423 64336 2576648 232468 479028 323161 225588 200451 375832 227781 273776 464706 52527 8986 290275 1547289 462390 135836 340098 28037 803074 109131 63748 298615 150238 256073 47863 185487 37771 46026 300299 101604 24596 906301 26469 13943 23366 64797 79699 88383 156412 180777 11845 49765 30374 158026 16998 36442 38023 100442 7807 37213 333825 6187 796484 131306 111347 82814 70178 40323 180925 15893 72609 10573 68175 155730 147638 102374 898730 51258 55171 72887 192106 58037 31714 446045 6598 8855 57728 87631 70469 36082 12691 102973 71863 21722 44527 41991 60844 14572 57404 59167 1394709 133969 974422 44454 135399 33992 63904 117233 38771 123168 89924 22524 187083 95467 12741 190508 47916 94394 43834 294687 224661 142396 508494 167522 79261 17955 351736 185546 23672 65743 88159 50204 375532 97841 147310 60995 2493 140865 24252 228040 119063 119258 9944 2-deoxycytidine 160966 65103 55832 25649 23362 55066 187599 19598 36157 48942 137129 44460 37417 52618 4499 46149 21985 6640 51747 73118 22380 80112 11108 45036 13068 46138 70843 165922 4984 6205 87949 43220 72534 88646 4758 41224 9902 27166 67911 118211 14231 34525 403216 177902 19401 47756 260626 308415 135971 33792 23893 49483 62250 269730 28415 10329 23312 27528 9300 41918 14847 235117 9094 59101 3735 30624 251257 18315 102858 52432 1334 3857 2209 178055 3812 1481 381 2504 58255 14912 160925 345335 251687 46822 83101 9563 2080 263250 17768 2450 35140 2187 9760 6645 3597 12225 56285 4861 81726 8237 14108 15814 38054 7796 30243 37967 49444 1792 19321 195004 8775 101889 3985 103229 34072 9598 61240 47835 9446 78349 11823 87220 143997 39807 106870 354381 23632 11039 7420 3527 10877 24659 38396 7246 9347 122042 226470 106252 13364 3576 88098 52527 10544 52667 38565 78187 23543 129223 19440 127573 24984 22822 9387 54950 9442 42381 11720 18223 24014 16342 7755 111523 121266 2651 37121 6856 72091 37432 23279 22304 24075 4736 121361 11669 34179 99321 152047 25237 23431 122374 292090 244719 126625 10107 3061 70353 22116 32770 116997 55055 7975 3-(N-acetyl-L-cystein-S-yl) acetaminophen 8 55212 17042 12994 9044 131 46355 4 7218 94 12 10738 1078219 1577 9 6525 6 104344 386 172 3285 2395 9671 5415 4705 5807 268 586 147576 4 29 935 2241 72356 9 3668 9125 20294 37072 242 133 108672 12927 2 21759 12913 304 348 302 7 1 13997 12 28055 522 13444 382 21085 1473 37377 18698 1292 127639 496654 40805 356 169373 5048 60967 2578 25762 127 12604 104 361 5 149 18234 525 268 33891 2548 5 4 8187 33225 1172 57647 149 64283 100472 317831 10953 6724 160 2232 331 2 35 1927100 4019 37193 732 14476 26764 65955 4 60047 10415 9 2833 6011 33514 22372347 315 8001 8722534 1076 227 15434 44167 4599 102912 144 11709 10922 3535 9703 1664 84591 26697 2591 1707 26334 660 3 9 23072 213 264574 1 12074 88339 15321 334 432 5 133 41938 4 10 8 1954 279 22712 390 6865 32207 108108 2633 81247 6 25153 14 4964 119239 107 72 180 262 1439 314 36882 3011 48 7879 581622 127721 5595 4476 1120 176 17660 3-hydroxyanthranilic acid 6177 878 7547 4607 320 6318 3102 139 5827 271 13553 1390 6841 69299 11298 4630 31015 9495 19618 71026 14996 634 1832 1697 12356 3976 5046 225 3543 3291 10593 11471 16777 4013 10471 66621 3146 3424 686 2402 11315 28326 11290 5651 34716 3351 8567 45767 2664 3837 9037 1849 9473 3302 387 5417 5124 170 104 21612 3-methoxytyramine 1159 229 732 22619 9892 1339 106 542 43359 579 14581 1682 29756 432 12073 223 1446 547 5226 12608 1695 33407 2009 26037 19801 358 824 1017 320 649 270 406 29619 2739 50691 790 945 16215 360 783 7043 520 1227 9140 16833 39 28 91874 3039 26713 1116 400 1218 178 966 15576 330 87705 259 55910 2116 86341 1733 296 11884 520025 21748 6668 3174 2773 301 29826 3004 10725 8536 38008 1229 41097 605 1037 793 488 59422 644 429 87447 4210 782 622 7385 8294 649 1157 454 124 35404 50089 4323 68902 829 51026 4355 423 34790 22452 570 60338 55 220 1046 2943 19529 11014 1554 45466 573 18355 2033 1210 21251 8767 910 128 689 228 29709 209487 1345 561 12595 8501 506 1204 1564 150 26856 16846 60 35709 942 1431 409 16936 775 463103 767 60908 77824 604 811 1074 4139 198197 278 3400 324 3035 1403 26162 9720 6227 1104 50867 5334 1829 17192 1665 158 21806 137 761 1286 1487 15027 1506 435 1637 599 90148 140149 2119 25231 159 1290 23974 3-methylhistidine 47852 265450 14887 1386272 19873 102050 29219 44312 324079 22470 374103 1272611 30116 3783237 192704 19566349 956692 79575 767405 1167268 293811 324622 518490 1051733 1232308 1186652 34483 1703704 78543 40150 1615816 221111 16947 110406 96640 366065 55802 596666 1121003 183635 411841 4388209 941135 448793 605645 1536460 372064 808623 657314 838550 1285306 408742 331878 1257984 595260 529756 3139272 654220 333446 1184312 734111 1300704 738177 802787 59319 29523 585239 883457 989456 5239177 5959169 765797 1528002 311907 877052 669382 145958 3577098 838180 325007 57448 39090 3264331 658681 604354 13762 564592 1098208 3371848 262376 518581 908724 800997 840319 732659 526558 637281 264109 366261 379406 542689 234422 722083 2672864 293017 613742 64799 11514780 1526084 667328 182248 1183899 652961 1269591 662633 212614 1576432 972111 290444 45313 51879356 1999146 1294826 534512 270918 822191 26407 53386 438939 1214152 268399 232769 508307 324873 1607774 646186 590158 448052 281833 227819 262099 382652 126416 540120 541243 688570 12918209 1620712 1521820 927995 1608039 1201701 1552456 1711437 370907 751971 636346 3778204 83816 117354 764695 9134006 115331 510326 13887 747473 22542 357615 1646527 1263016 546198 956654 1425044 490803 1405391 633046 104056 289433 311666 702913 72314 542781 1874677 103653 1170797 32934112 1461536 1898808 305894 1006158 109228 1224335 3-methylxanthine 307994 214174 662115 8261 18652 186509 997357 269039 3813 54465 878900 5487 452398 133373 49611 111117 33145 10361 681910 676421 299321 38892 293740 480876 299 1265 5199 257925 6901 48292 83562 24420 18011 16218 106166 3130 1638 57873 114807 304404 341964 325917 1212260 205488 180408 666306 513433 900340 7738 85494 25509 84091 40106 1340963 54002 25321 9294 9871 3375 93941 2201 6913 944 4287 788895 24903 358051 546594 287078 218474 1328224 136909 167523 1637857 2204 149050 5906 17519 9519 154925 506539 2281605 3036017 1992361 84227 3128 55306 1174948 19650 1643 1429809 293438 235842 283559 163756 707324 516980 321375 427624 3865 51491 2467 38744 3387 30585 28192 142787 6007 3126 1626431 3048 955867 8710 143072 21046 49536 557539 740395 6305 917793 451764 496859 680520 22030 684929 528331 47399 1021816 504698 59855 1976 22845 1194502 5311 3634 349066 39830 119613 253817 953 253333 1110296 6405 515768 1519895 543233 600544 1426006 138684 1693550 8158 34811 11392 910865 234719 574355 84430 9221 20415 12738 47911 186375 234289 1227 438468 270 93674 77181 14996 23936 62100 207966 110798 1835759 62536 88214 460668 872880 140318 17450 232687 263171 11228 157568 20419 23193 920197 46226 5762 479989 1004505 12253 4-acetamidobutanoate 76380 282806 27359 48221 21769 22602 188532 84933 13899 33066 36766 23596 152651 52125 29008 94554 43317 61688 66282 228778 89732 20999 100944 243606 14595 22011 22573 155762 30516 49745 82784 31359 19490 32931 54768 27389 32664 106855 53169 108765 32461 29194 31795 86844 39905 39483 51242 95814 24878 223242 21681 56427 49305 137199 79696 255467 39921 157589 26257 365433 22873 297111 20673 209048 42983 20123 116875 290561 159425 98536 2110806 530736 207214 136736 15959 142730 14984 202001 63441 103529 19041 58489 251864 80952 63714 44129 73579 168566 46523 21828 340750 108519 19902 37948 49694 199170 39258 135044 196215 29546 50938 25872 45908 22146 54140 32280 41791 66248 37767 138831 12343 426938 54745 99848 94684 62478 114615 36711 123319 53026 44465 104940 74359 12951 163113 123989 22039 53265 40814 128987 35129 31688 153477 19796 22041 52272 93061 45435 112567 22721 118497 109487 17707 91236 46900 33570 44512 112749 66772 144441 107666 159459 122598 32676 58107 111879 825693 44302 35818 44406 41256 112029 587590 17751 302828 17608 97721 102988 33361 159626 78941 31327 194866 155445 65994 174191 113440 86014 22059 37230 31699 136574 158529 67243 34988 47209 37798 33560 32105 171903 76707 74270 4-guanidinobutanoic acid 10499 3232 4461 131 1126 1719 441 8592 10130 1381 1337 2628 1967 1253 1322 1009 1538 927 613 450 1744 1712 136 1083 822 383 1376 1936 18363 2268 15632 1817 4365 358 1010 7744 220 931 917 1391 315 17688 1463 503 6585 140 849 68 476 674 438 412 208 687 1993 371 789 448 822 419 55 484 729 493 224 377 160 328 920 538 325 339 369 394 589 681 710 301 570 489 1098 633 251 523 245 1034 228 4095 160 908 886 545 929 1047 655 622 318 739 1697 389 592 1358 1097 1069 4307 1656 1701 2011 590 4-pyridoxate 19301 1518801 9642 343285 266754 29977 72941 58498 436586 44984 36819 408830 191929 392002 26374 617614 47550 36401 198097 4107 197868 9789 322840 19802 334718 433976 35746 477835 26995 44767 351819 41569 87808 165327 39993 144315 31045 42374 740546 129022 68516 437348 13908 20580 794040 1344205 24557 71805 442952 23078 285330 15999 78158 145340 59722 93795 1008275 117360 736984 65963 912078 36681 423695 80122 322303 56768 365476 903136 896290 1172529 98047 140237 252567 625902 735496 229065 626167 170911 601975 278539 1355252 241225 1454970 182562 283363 615509 17555 169229 746905 100591 543065 138530 424967 353901 82938 97625 36356 27055 51886 189886 15721 646350 234173 30838 89891 146466 52557 54278 301244 756132 173165 69131 28828 126807 26999 20815 357086 46565 439793 82986 973272 93098 111710 495503 332411 102651 11542 46152 29385 429005 291556 70965 67963 399707 532822 104751 106454 72330 598648 508514 1291361 1005007 603101 544266 31257 46113 237781 20630 312383 34982 232277 44883 419033 54723 43413 25396 266225 660098 77708 90944 136150 790276 515267 791799 517240 422002 832655 450528 407434 33894 67599 411693 22254 1277652 465774 143311 139336 66567 33451 484302 30542 529288 45567 122511 1038872 336060 43680 311316 42481 76955 87412 370385 5-acetylamino-6-amino-3-methyluracil 11120 32404 7226 13337 72825 195 19224 3544 78998 5698 10959 2342 4212 68 8571 35128 9476 199990 17407 55848 28584 15529 27063 3267 5045 4312 165 7673 4743 132460 382 12441 2880 1165 64888 25149 4019 51275 304300 32798 77471 85078 3256 268787 8014 13734 79977 249 10835 27159 11003 217976 9597 36340 10094 21428 7594 60302 8045 5554 23699 29856 11774 4164 24241 20379 7233 98273 678 38365 4913 66301 12692 29542 10255 25348 179101 5423 50906 40680 4129 137082 29737 195842 70485 15627 64361 23367 58347 88958 56936 6379 252337 4469 35286 2404 311 14649 20987 131958 40421 411967 77502 4229 13491 1946 1436 56783 6857 24651 4281 129460 51302 14779 64553 61747 25735 623 36083 13041 3311 145420 42596 670337 212892 57850 14328 6264 23921 127918 7594 26700 420041 16219 10917 25092 164078 40096 13099 162682 198802 59529 69280 14560 8614 9495 6414 2159 598 55 3784 8276 75709 11793 370658 1720 52057 2222 192 24239 4339 27159 6638 4096 7060 1364 78 73816 1450 5156 2611 37765 6222 36770 89209 8781 27301 16628 10337 5-alpha-cholestanol 402366 14115851 1540869 18505200 41999667 7231859 10116001 52098325 45307788 154513 27413377 17132553 18491578 12800892 180647 12544759 16880083 45508727 37166522 112685 11063906 17953272 12346835 13652661 47124464 25909205 15419913 7873244 13662264 28792789 13067407 14704562 25684103 27402104 14396269 17683898 14660516 16338302 13868025 35804297 2789342 6027858 17520728 20132207 31259741 10583789 7114229 15066354 14807364 15127530 122736 25264562 21886183 30437622 34743984 22453730 24128735 11714578 23105594 189368 3626690 3215928 5-hydroxylysine 961 980 5703 1713 908 3097 604 1090 790 70 1895 7000 3111 1976 2366 278 3717 95 2055 94 4246 24 69 3861 8069 2645 1494 1439 1016 1848 1149 3421 5257 2384 389 44 949 3382 3542 34 150 10129 6932 222 6898 22 2294 2795 4831 2654 5019 47 1650 25 1553 57 2431 24 5072 2528 63 31740 5320 26 33409 20247 2504 20 1131 3022 163 31 1089 26456 5900 3449 2639 1710 166 1436 1619 1539 85 953 3686 3526 7751 161 6054 2911 3352 231 2753 2919 1267 38 1204 2962 5232 13281 1810 3214 4137 5252 218 4380 1711 825 1793 1413 1034 145 3711 31 27788 301 3271 300 858 4648 1986 2266 7384 65 3641 1828 21 14156 9461 4724 829 3500 248 2969 202 2109 1442 2449 1764 1953 199 604 88 1297 1425 22719 382 1280 825 1295 66 2559 415 208 4481 2414 1439 1330 5569 2125 223 172 164 1268 10116 1616 40 62879 2600 157 1218 1135 481 790 5-hydroxymethyl-4-methylurate 8066 19276 7143 493 5640 7268 29 416 698 54 329 713 57 1992 1556 100 90 31793 17994 2672 3657 1963 19248 358 255 441 460 123 59 174 478 221 194 348 117 30 37 227 140 276 21754 488 8527 13204 20652 252 102 403 389 120 104 37 223 1539 36 244 315 114 67 87 2074 50 60 3103 3371 281 176 45308 223 347 243 96 214 10074 160 7703 14603 12214 218 308 573 70 92 737 538 526 58 57 367 245 63 69 187 455 277 151 738 85 792 36 413 88 71 130 196 264 247 551 396 256 440 110 281 54 76 67 72 13287 98 15306 20426 37015 84 222 12855 3665 73 2025 326 333 193 560 47 303 94 59 94 20 313 115 1316 65 208 241 1221 138 85 42 124 150 286 614 180 99 219 335 96 402 413 187 43 476 31 651 158 269 1349 167 239 871 312 5-hydroxytryptophan 279345 204042 287970 152458 202454 597570 113874 657098 536561 248783 257706 267078 297287 196367 743801 598492 190321 947660 160387 387547 367016 408901 233815 331689 174968 243228 292112 76451 148331 45012 23518 227592 93450 246747 748747 370503 415568 34706 139130 393964 720445 454132 130236 207420 552910 86247 166996 286468 151551 804300 17616 278138 494662 156344 117083 208286 70693 299624 371327 319752 232444 230051 91803 57639 551805 229128 235925 60188 220290 395157 239407 616547 132802 216989 116474 271997 78051 1006088 204373 157848 380746 184237 36622 235623 261544 102474 183824 276996 168277 106062 156629 144555 82685 227418 186114 214178 374243 50990 79952 182711 117801 147727 774202 319618 537367 129363 82930 94240 193858 113087 39782 631865 111157 107280 286025 138660 148130 244132 351395 350695 48197 674117 315106 300993 405617 55266 378713 105051 186515 534299 736235 261013 181840 664388 102720 256430 461775 235830 173715 343579 298368 200487 1096794 1132586 176672 449842 200698 824156 170847 77746 263262 26549 220892 583936 19181 37946 503724 165045 119084 375113 87462 130699 78949 9208 1177759 238876 497585 303751 256695 302103 330736 98421 179260 481235 95807 65394 238995 228482 564841 260913 215036 323100 2305519 17090 259339 272305 21306 15277 319852 5-methylcytidine 114 1194 162 443 669 9355 136 417 3201 2356 593 937 31763 1653 2903 8765 691 14009 77 492 253 174 1336 150 154 505 47 44 163 308 1779 587 3103 167 158 228 165 1902 1657 204 290 981 265 346 106 527 5-methylcytosine 3206 1437 215 8554 30809 2092 1903 49 7924 81 5093 4757 72 2950 1395 646 360 6167 1906 7969 4205 802 50 173 307 844 450 5920 3737 247 812 835 1171 3899 592 66 1379 248 134 508 824 187 89 9232 91 5012 5088 5953 5095 5832 1833 142 675 1146 1021 901 640 204 415 62149 182 212 1725 332 738 2008 703 282 1414 2246 1783 204 355 2273 112 2905 751 1457 1233 2936 79 719 313 16844 2396 1051 682 90 42 556 269 971 45 208 54 18 3825 194 264 372 416 133 1603 621 515 1742 84 37 4168 2775 1367 298 768 38 182 278 431 63 3035 2322 85 446 2626 291 924 442 40 1962 2686 30 85 54 8349 526 1212 4047 1643 5063 4828 1389 349 352 470 671 398 913 2378 283 13738 35 85 4856 751 1904 192 357 174 208 650 4740 219 299 87 51 1075 "6,8-dihydroxypurine" 15215 60092 13523 42394 89238 17810 26751 36923 212787 40349 337691 213450 109876 43938 97484 140320 203483 18821 73143 122456 65971 161841 37383 134059 60447 139757 24355 58856 12977 228629 86991 624466 332061 717463 574016 956741 8556 71506 183432 43785 104217 155581 11438 64465 63506 70410 27942 20595 205289 70235 113486 131140 42183 46751 380916 151046 73200 108793 64357 123219 58909 96168 73426 35772 192617 25246 66734 113604 40524 14344 146886 84067 434859 13110 32338 274280 3572 231554 45930 68638 134159 11112 43306 51393 148018 64778 114129 50702 55698 39081 93656 95744 94432 55510 32813 27897 72463 162841 54910 62693 44832 113503 124311 81096 9110 45732 45248 71167 94104 74572 52014 38675 26101 169962 59766 163077 88913 720580 22273 80523 32272 34477 19721 187470 17574 29607 59042 26729 47464 69747 118721 47369 94945 16037 30434 568746 853486 1245855 154938 40241 26968 349317 53553 309110 110000 19460 31626 44507 143162 238974 48750 29671 44203 9751 15303 49028 44107 107353 39737 45459 83815 114619 13470 57934 87370 30674 102448 18064 119154 43035 41841 48330 93339 24554 39450 164744 39859 6389 2154 917208 21493 33716 56111 60009 27485 26810 15594 136976 64693 42848 748653 68998 7-aminomethyl-7-carbaguanine 266589 1621500 1476470 581014 3444474 2772473 223744 45397 1642600 1025766 1785574 818985 656175 67729 1064963 895822 1565558 1354160 1035325 133636 154134 565465 1010890 243444 103640 1720954 405744 829450 1023247 139690 165873 492583 923978 3629241 561086 634448 210504 418013 32506 204147 831251 1186356 210730 1924483 1092420 130973 776876 576567 735638 32234 2229394 62291 109735 264962 105184 770224 464319 1158569 675538 1671160 1092559 978231 1709597 2649237 965998 1496669 628160 244892 1386445 195367 530489 1877004 137944 2113023 1368179 492981 766621 787736 1221150 39989 1870842 365818 87023 152379 869304 877440 22052 862329 690869 758934 960344 1366439 1330809 848529 1353760 899015 638617 279923 1156824 695755 1545765 434255 1629276 1203843 7-methylguanine 1267049 43288 889251 74563 46866 460702 3843663 1053709 118443 1640505 2509354 509428 3130687 902417 1229487 1580068 1378576 1381089 3594002 1714001 1410851 1536673 1477987 1740171 110268 152489 4031801 3809440 2954689 2723278 2913691 1377409 856172 482144 2925540 120192 1749487 1643438 117817 2126970 2312015 219342 3650308 554641 1502947 1155414 1722531 2843891 161729 1020656 198502 1242529 1780314 4317770 1546699 1102373 8412 1719388 48273 3095379 8498 691236 19848 1572098 1701787 624460 890571 2630827 2448875 1525947 7578370 2148555 1880266 3969637 12127 2201947 3019 2595794 30537 2292215 296442 3125370 5513412 3342380 3126219 11992 1239295 5025102 36570 1036888 7419598 2824049 1203857 977574 1396747 5422894 2581578 3181711 4293948 33946 1980750 52012 1696568 18250 931879 951951 1769183 108033 10333 3670250 5348 5616683 1453151 5614731 2054811 1603153 104620 2191024 37537 4127537 1506827 3440835 3777598 1790572 4501031 3039678 865422 3442277 2326854 52365 39465 706387 6714205 9320 23947 7211371 4795050 3727899 2733817 97998 77349 2846298 125747 1123234 1669228 1632907 1118388 3270480 1020169 3828261 98176 2445901 142455 666639 971896 879206 4204861 58279 1987627 1785848 1798003 1652317 2408585 19513 2567903 4851 2268737 2459304 205385 841964 993788 800583 1569565 4465726 14900 3837159 2468355 2772140 1415996 245774 1688315 4408312 1705432 1996276 238594 1954885 2059569 189838 911546 2720956 2751283 482924 7-methylxanthine 93386 28110 145753 444 27451 153654 37682 406 14347 113127 111 77806 11456 57479 17423 31755 39747 290887 225038 109590 118016 37643 70394 5 68 871 39239 17486 24421 21863 6162 8854 22215 2684 8133 27523 27703 457761 172827 67955 72523 320911 44097 77475 29064 48948 1536 17256 3554 31914 35016 118032 25552 24349 1062 15554 79 38641 1107 15572 33 1077 116870 10842 98285 77754 29963 13890 52903 17103 33326 112486 31 12396 29 2363 3095 65438 121329 58493 186640 946187 13467 1398 24406 140281 1835 1029 52943 19366 151345 99805 9804 36872 314074 135404 67451 159 20662 268 18208 257 22052 19010 64820 711 745 316192 593 110678 4947 13675 4770 60703 52239 338741 58 446793 17446 37032 826705 4778 34978 102258 80405 203116 74072 12911 325 10518 506269 2904 494 185685 18458 56847 135772 20839 672804 1832 181353 414369 168917 44864 504058 50831 631857 1629 6538 1075 85429 19755 399050 28233 3 3813 6360 12162 28095 7271 10210 189 57279 137691 2941 4088 10891 23413 8007 115672 5658 43334 51679 20473 20948 12498 101147 15248 324 65370 1749 1478 626146 7053 341346 164814 889638 2738 acetaminophen 17482 8702 15503 52919 23434 20977 15431 16053 18480 28435 10449 13593 85877 25036 20182 52995 14635 70322 8164 24944 11858 25481 78728 16748 754148 17966 20249 13440 54915 36567 10503 19352 28938 938254 24346 15842 20525 18774 488091 6860 30725 16021 10325 14007 2207998 18142 4725 8641 36324 14095 17429 12404 17508 11984 21121 26280 22747 30760 21515 15257 14729 35510 43660 56547 7351 14674 15067 6316 5786 6184524 20794 24236 46871 12629 440257 31096 25811 38118 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1356059 11078 20358 420504 26398 57923 990 11344 7082 14364 12043 199583 17484 364381 322537 1325330 6935 2178809 4248 5071 4253 164071 8484 17905 72085 21705 18311 15016 58797 2406375 51204 3897690 96078 1678554 36278 1606019 29039 24922 26854 25936 597490 39894 19935 560577 2411 13987 15079 584482 145861 44038 37443 8210 1293 5066 2621911 10169 1642021 114536 6084715 689906 183998 13825 9947444 2256788 54203 14794420 4460 7649 19823 6407 6034 1075318 18304 627595 20286 165727 46558 40665 395781 232938 36951 5909 3913 16675 1128077 2177065 22993 31232 1067353 867279 20104 21065 39609 2292 1832072 15897 1165 1450899 29639 28752 81038 110086 48988 674733 5468 588430 16874 729169 40615 36421 44625 3055 655431 2126 8314 3194 237102 1027 160484 618 146905 20215 1917 475387 5389 15730 716823 6212 322544 315469 65067 13488 9304 16731 845241 7501 83142 11814 30951 1507427 43616 4262 1166727 81914 153722 9200 418321 acetyl-galactosamine 1378916 476424 1889849 71929 62395 1360327 1646451 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26183 873 250 4771 296 909 1393 286 87677 8747 844 4955 3023 50217 10804 4633 49290 4142 941 173 140 159 7566 11087 2460 674 3366 15577 1649 12579 15473 11703 7767 8350 27138 26311 322 1099 1186 888 269 123 8402 3474 9276 1359 4701 181 4009 2647 634 553 12459 325 227 2865 440456 1379 14759 261592 761 17337 778 5117 381 7755 1 1 16319 13588 27621 4691 259 28839 2422 338 36418 69361 102130 3865 1269 3166 32061 98832 31539 6602 1535 5502 78 11256 1487 11349 4373 3965 hydroxyproline 11934 5224 14734 5045 4755 15239 11370 42708 2061 16094 10215 6270 19988 87307 16825 60049 13724 33212 27060 183634 2597 19197 1957 139861 5006 5434 10740 16027 21044 7650 48490 11210 16881 5626 40441 5070 33672 91269 7618 5658 3809 4964 17666 64567 5965 2418 16060 30645 4128 264288 2801 31536 15114 18327 18525 81825 8879 57539 5347 55427 2837 148623 2331 154859 7877 3818 3009 5433 57994 4356 1473527 336843 215594 254071 2052 132377 1649 216344 2966 67894 2332 14354 393174 57483 6962 5342 40526 61978 4802 10948 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1051997 4963300 4287078 7365216 7308199 10896522 12849581 15463697 6648381 1912753 7160814 8131655 12688639 7935303 12730331 4239176 3673494 5415698 3341508 17002432 4582683 22173408 9519224 imidazole propionate 3561764 6191332 768670 928813 56658 718621 3475331 209588 108522 88581 1864377 32862 61107 3905608 40259 821266 41974 179342 330516 2415587 26531 739610 11139 1701606 22435 108458 55384 54375 159270 40314 4332586 69757 151736 335761 791083 716563 195919 241277 101541 769367 100932 30615 164951 80835 34539 639941 3780387 9178250 31381 3504079 26718 805281 31998 12388756 3519591 350146 51417 1720866 908600 8557606 51845 94123 100709 28543 19548 18044 8945514 2025090 4877983 3599725 346267 2129305 1959782 8143631 29113 1516619 8805 1102716 437474 932515 272461 4078912 14401731 189702 56402 163270 47751 227956 1586713 1071328 21717777 4900196 54565 420980 291302 15338126 408952 30090 95421 280451 362797 79286 85813 27479 1108196 93207 31852 61780 22464 2412109 6470 834572 62599 63392 94883 159002 84393 150041 30323 1508271 91644 3574633 797071 40822 4850672 2254097 123001 163297 34302 46072 118623 114463 646260 23923 87623 269323 292746 150249 1646313 100256 4605985 2919498 253892 2748184 1770627 810793 46379 833799 60170 11638327 309222 17281 319964 67970 1930491 2935047 433668 64551 33264 241188 47056 42804 37731 149697 1134393 11796 3824857 250841 55781 362685 255351 72234 113849 79473 100100 5928720 6949077 2011161 1429535 67856 1068616 8874173 692163 4192200 12277452 2504915 433128 22682 190196 5882721 400798 65394 imidazoleacetic acid 535 109087 6036 3429 2897 373 148967 3631 969 1471 2989 2008 83072 13641 2161 28970 6781 2566 1887 11991 31582 608 55066 5633 30336 51134 1322 109858 1857 4897 5165 2006 695 2659 2803 550 7519 7336 742 217985 13266 1947 6034 2685 3921 2037 2730 1375 3030 10028 1585 2909 4816 4890 4253 10226 4467 781 9469 1795 43773 3303 76735 4536 74893 684 50794 48685 51391 65722 26359 4562 20008 15500 4546 11378 19709 57681 3774 6280 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1424676 115474 18004 74111 123658 153418 11476 279 13604 2135 81 9252 19448 17698 40 7108 12408 46960 249606 57039 28230 51224 11168 20462 26635 239035 155702 21265 38507 36432 5622 57673 27748 76502 10294 39270 50438 26074 17637 627573 13115 55003 28785 36520 24 291125 247 44690 834174 42740 2596512 5487 3673 12786 23322 27971 225724 31941 7970 1544442 89822 45087 147702 110362 946356 37764 1098 2965 142 7758 261 16336 33620 23915 29570 14665 52611 22846 41292 21649 62392 381759 7253 46 7529 52104 58092 39838 19769 71828 464309 242287 295867 102499 5712 10347 11463 181494 256227 456730 55940 11411 120 14241 10 18638 223450 924925 7718 14340 1229 213184 52662 89524 534262 96746 5779 326782 660878 118003 3969216 524892 1314434 1765250 isoleucine 143593151 380007386 64249909 142723733 209044947 69671697 60976264 179157667 506164384 89157749 100464007 352576605 77247585 262607916 163130637 497872428 171628802 93931145 49092873 77212872 267479386 181322372 240782115 234038252 197954395 191805781 85304970 38042621 115190049 190134857 95101795 46570804 87553557 304208999 112675105 213063964 147348366 359169078 554064564 13718643 220965225 419452741 162328764 87295864 130649013 115726543 126512799 262975954 191184595 200511848 164432244 467295750 48823495 389764304 273553354 92481523 102786794 76945144 112681217 365318133 364206448 112542752 269897698 163354905 80412943 96506773 307780984 315986755 48281060 35571151 89553364 317110342 156918522 122636494 179848363 201407037 119803105 292220675 273208993 290853558 188323976 92639808 193719101 94617683 81408065 84037987 195174067 166465282 196916514 405038997 161743889 146532560 80770972 66073137 94802451 218561117 39466602 111063855 23597008 133261577 95780509 248664425 161784944 160438128 337752851 212964232 83048828 202841167 72484693 85607174 79858268 327618120 116034180 330621121 108075586 132586960 152320848 140629990 143409208 149538771 251323324 345032652 56459239 196143324 284629695 151925354 52374485 121363424 249055016 97384684 115498296 94585449 31871259 76417758 118424695 181393585 61243462 88107261 259097205 162355887 90446146 301307819 164632240 133219651 269006355 159480153 43450957 121518540 98471752 396714535 186034303 67464940 159411301 112193861 119480089 122201610 53650047 90561919 296837074 211366118 221935326 50280335 108044684 115040990 139554231 33442258 42597466 87721667 254269246 206783948 153495393 228102627 217167237 34006455 60903622 59931990 200015028 62005827 69322010 289665098 42702417 85705833 67001677 125759700 308238628 699371488 46012587 214527482 70510607 85240852 60482386 302630024 isoxanthopterin 30383 8222 107279 3236 1815 46366 31535 167321 3392 177523 123255 7657 2316 3195 92190 1198 95718 98747 152955 83358 12957 100314 14073 121941 2808 2590 136714 73889 102490 142544 149425 145468 82184 1904 275583 12056 129796 144639 2629 49183 1309 1679 169938 62083 5079 11054 49411 52834 5915 10616 16856 48809 270700 2657 108220 113704 1298 167623 11750 61 9417 70681 6265 105877 10936 107182 13768 16745 79269 23257 236503 125051 104033 231992 4227 192308 7956 84275 4111 240262 6828 189766 75348 273388 176702 7595 52946 114255 3617 73860 214178 9976 12230 139391 44 29541 14434 119849 7502 193841 5548 129280 3255 62760 67878 118474 3648 10591 147891 14923 202286 114315 376978 351564 201452 11729 263052 2214 118667 10399 133184 168765 4826 70446 62583 42690 163429 166821 4131 9508 73098 293407 18536 14604 260109 226556 203266 74262 26457 32828 103220 15129 60544 183868 187119 16038 159399 5022 152 16222 206085 15514 97374 74315 71339 1577 5365 84464 124252 160915 2722 74801 6071 44585 6720 12949 51113 11393 79512 70404 17042 78423 69963 4565 46032 75841 107522 88309 1445 190079 13287 125044 12103 9331 58846 17619 7092 46001 159197 81035 3745 kynurenic acid 167689 342431 125909 31487 27812 50757 426296 97149 4344 287739 288340 2341 202674 13905 193609 3236 121291 252715 633355 131033 37420 52320 33587 182264 89123 44120 1180681 434768 377936 251138 141615 104148 48060 23575 77919 26284 220420 267276 2207 287878 411801 5193 367317 98387 93447 143352 720620 780469 8359 197664 13168 374861 447647 939835 93024 175058 57111 119536 25608 161019 58369 147912 15192 215585 296960 118314 84858 2763302 343906 100421 499328 421624 151732 1235560 9074 280020 8316 117940 30904 368656 79266 596304 664054 603283 362945 59555 162330 845587 97434 161090 901444 280635 2625 8145 96548 609756 193261 556590 468068 1731 140581 5700 376592 26224 93189 171572 233153 15958 3109 398930 4250 1712174 185122 721820 368299 257202 32232 405826 13015 423698 24703 463463 358011 8721 494923 331093 287029 564827 708593 52576 5142 285398 1259890 1834 57322 759045 604616 220897 323161 8058 281877 437938 16201 420028 291550 281104 92562 344757 64082 655429 31599 398822 60683 114552 151136 119193 448772 8335 561146 254973 298793 19046 283261 7163 222820 41729 155908 295701 85935 116937 86688 149278 83092 572357 39494 830555 386184 456256 190805 166135 181569 312882 207309 321982 2343 67902 214996 36156 322350 208254 117849 3240 leucine 254790671 363941836 97142103 165506429 245584774 151181425 74391751 395142036 565141758 124637455 142269395 405073530 137334968 400865161 223868066 630250428 328782578 186234358 118214831 123379890 333635623 243134688 339010882 266456199 244995108 250098636 75741401 64113411 138130594 215528375 136211196 69668481 149952003 359915997 170832124 253296623 246322916 478892857 658915514 17776412 224790261 485586045 261886481 149561891 163484539 204259664 220847975 505805375 245405101 294316751 209787077 661747744 81042292 650147582 545536552 213030442 130348649 194703300 115053899 551196792 513873760 170987565 345972034 223448783 104329596 132262271 379775216 374372694 80272480 53657170 127428132 479612897 237021604 232081400 216767897 299240163 165723409 440860617 427408940 522611031 223697887 152497556 267367658 158639469 88966625 155215240 347240594 218231254 308341356 587493025 219045830 171746898 112487301 79814015 156165550 285775819 64301006 155208357 43217150 160497357 121737453 337980746 303010362 190241410 552657505 314227626 200979549 238914107 102201179 116103450 109911140 444966238 184530274 440118397 127971811 163328788 234901553 246551783 210416991 207056437 291454169 519213642 71238265 280328999 342464166 255783793 94636439 150913614 314487665 131942188 153916040 153688381 39744527 103296264 166160464 261323414 93681415 152540512 369825431 196452109 133488994 377551117 209587901 149776035 448534749 332876137 62965495 205541364 124621883 474197810 251897947 95751580 204116979 147839979 161945571 240498613 76233835 90768223 409754114 285739881 320933765 67796713 141299037 169868305 196017575 61022732 70889638 113384018 349741171 328193355 202580559 308387837 285519104 55395138 79469475 86363318 387075295 73669195 104702375 365578998 58571279 121263431 107122271 188319171 412775376 1052402630 80386867 315183401 120642299 118045653 91209297 365058205 linoleoyl ethanolamide 55413 4292851 50156 662687 186043 71787 237710 75146 152773 57887 4615 101436 104382 2403896 145482 192723 81897 145228 5176318 198477 157211 44832 71147 258501 145610 76582 61364 10066450 10208 116506 8340161 59285 72323 56366 6423 28596 39353 71782 132767 1063656 60672 110315 87061 182875 196084 100627 77412 174206 54356 47970 99809 13165 60422 19930 34224 43850 221637 33343 232599 106121 98879 217823 62426 167378 3972807 23832 253083 109779 20540812 970991 46607 207447 12917 1021056 45197 35873 50560 32229 39614 201267 437551 200138 4724926 136572 25596 159830 64661 1594857 64279 188702 208077 135824 91995 617696 115146 41339 11809 36493 46881 28593 84601 36155 67208 42928 90861 137190 31315 26116 73177 13288554 16955 25081 66092 19306 66984 58940 116718 16381 77148 277725 121104 21643 11895 38376 166438 16002 55873 206028 18438 69222 347445 132050 50937 32080 81338 44187 11662 44763 115870 105771 8027186 115897 270987 32976 88395 84132 464914 25535 206228 59792 77277 36096 38215 26284 53002 79384 8011869 238566 17967 26740 54330 451831 102437 17122 50111 23181 4591624 44810 689826 275101 413186 65393 322300 17129350 247597 888845 20191 71360 69247 209464 30074 508546 170822 3369 842106 3133192 103905 192172 107031 38338 331632 141607 lysine 1054785 1976312 538333 1424889 1512689 2145696 375276 2088672 2218368 619067 650108 1689278 916428 1637826 346012 4181810 1234568 112056 161439 725948 1536624 371713 1302797 191291 909593 1242286 1502705 903414 601157 604031 407212 250682 1666045 1929498 678810 1479655 844759 1411388 2029357 198215 928075 2024778 4034705 1033922 1010477 857508 4795930 680430 1275493 680500 770264 3803034 368044 3156767 2736990 1896920 740642 550387 1131291 1894909 1997516 827085 1888398 866754 1270885 353068 1956478 2467765 5700836 589296 529482 3279411 1165288 602916 653264 1151154 355610 1918926 299400 1533127 1145664 653491 2579676 700771 394176 1085516 1072278 1809010 1519706 2702443 2479387 2568323 1238115 1108674 694131 2421288 1234806 680452 1958736 213796 219622 895413 1286095 1202975 3317391 1882000 148033 573595 164248 1217953 284168 1104302 821732 5830865 575477 912458 2690049 1014257 444406 522110 2345458 2165152 375366 1132809 2017527 864984 142354 350798 730297 1308096 408300 441042 472531 438826 1169891 3277796 1719850 2660530 7922492 633933 9085964 1832829 765291 12595266 3792833 1585611 831140 552614 1504701 3248716 663689 2462684 1565576 760617 600378 805672 442844 1055462 1239986 719863 284247 731925 1080012 376408 2411888 262500 592403 5874915 1631411 1334958 930675 1992644 1044377 3006212 915328 1637956 1536885 227759 1586978 1702078 235218 910603 951714 975765 2869920 4915132 1508892 1926148 271808 180480 263933 2709913 methionine 248425 735354 168067 258140 393954 169228 113076 252093 988460 179642 207077 720866 451938 505559 190522 976773 412847 152517 23081 202035 698204 311487 619894 492233 421896 441966 73482 100281 234793 334851 114060 71521 139071 663404 252541 471238 315414 410180 1356771 46234 422758 1037527 261581 185865 327117 300330 225332 554006 418148 268094 436207 703016 183180 828090 618764 200720 237165 170547 155838 1493070 1107904 254949 730410 210932 192111 244009 735004 812226 153933 127951 127335 505959 363685 295686 421295 448827 340606 633444 146849 547939 430253 163375 432727 245210 124712 329304 334595 225307 614915 617164 379526 382490 252261 172928 110491 465397 126895 234209 88114 321400 123939 673487 275026 383144 285350 189152 139005 348718 183795 178534 213757 165136 204178 455877 223140 261195 547116 371215 394721 234135 578964 576142 102014 563611 551844 463844 107318 189920 455979 241441 314223 318171 108624 211945 384058 333449 161954 279102 666497 373127 223757 688294 415411 316588 583053 171548 161845 171513 291857 928114 336284 149908 455098 192530 188969 283304 91054 178029 534269 283582 328517 140704 223237 323533 338072 151035 195459 187322 721670 283103 286168 653558 366196 99450 242081 215590 362688 129629 109072 762485 129280 303950 218942 237970 964756 736860 124782 662749 143335 184008 233548 774885 methionine sulfoxide 39861 35936 20555 25411 44941 16784 1873 45024 29517 23671 10294 42625 13075 27420 5028 90486 84082 6447 833 54210 33442 19233 36410 39576 29678 30524 1153 2242 25338 4932 1659 20279 18988 45258 26393 32805 22907 178227 69595 789 31881 78142 27972 15667 19368 12820 19174 51737 31334 63507 24273 87475 909 12845 72430 45139 15861 26542 18744 87603 44593 24237 30243 7018 19002 9444 15706 1496 5784 3947 34304 14892 45575 23609 22929 161825 16510 104337 14712 91901 24990 18975 19129 9463 1367 19248 88870 12625 39232 109879 3906 2948 11514 21665 558 4967 6923 14870 10111 8748 8192 45279 15204 31193 5673 8361 3 50289 8182 2540 12960 12296 8039 17435 13486 16869 34916 48744 19708 18476 47935 19539 16393 37012 20373 29647 17248 6597 13748 10119 23393 5522 19239 10691 19734 23974 21884 75205 881 49453 10254 9372 25100 3051 87567 34824 9029 20186 19517 6434 16971 766 19323 16060 52268 72854 15028 46282 3192 23281 5746 13084 6844 2081 261 53999 2385 15632 51567 19729 3812 11910 7033 91959 22891 16232 44197 11818 3981 7510 25161 26604 45961 5993 40820 12065 24951 6175 36170 methyl N-methylanthranilate 28456 86779 24145 78593 60712 12876 26652 9217 221573 14123 18942 75528 9852 24570 18138 32294 1826 7745 4269 7171 34811 4540 34630 2717 69534 60676 5250 5096 2517 4218 2860 3005 3457 87913 1955 36133 3385 2700 50279 26096 1769 38412 21403 31439 56095 40387 36199 65754 41621 4756 41422 2595 2397 47433 3899 6469 52381 5854 48896 47804 43150 6574 59798 5365 4383 988 37546 61441 28403 107478 27946 21317 1808 2552 66590 5764 40122 3571 86671 12783 67802 13687 40001 14214 15058 42313 1616 37512 44099 4868 57444 39577 51004 87717 22741 33540 16760 80444 49126 62787 5075 51558 4686 71118 3877 4639 4441 64087 49049 34150 32613 83203 8392 2217 4643 3033 48799 3566 46630 28849 80301 30114 8444 59463 38957 32770 1138 30714 2972 73275 32815 6670 10946 32181 47505 7910 953 2420 20284 22469 22448 32692 35461 19294 9964 7190 67622 10462 42541 35998 76666 1825 64176 3193 5288 10521 4976 38749 2952 4201 6954 27363 14708 54601 35284 47728 27835 18280 75591 7448 8137 59946 22121 30164 75519 29163 12512 13901 7545 44216 11378 34878 5771 20677 45078 7784 30221 61953 19736 10946 23490 89104 methylguanidine 1643 1105 1542 10077 6823 1054 3213 1849 9894 1148 979 17739 10357 4708 1144 6827 1415 1266 3082 3561 12146 1491 12512 1871 13444 12653 2549 4525 2396 440 3288 361 55 23443 2851 15370 996 802 17019 2169 1730 10386 4255 1165 4871 7595 2068 1786 23821 2381 9272 1503 2680 4181 1114 2382 8490 1193 11522 4512 5344 1174 8389 1266 1771 589 1699 6475 4233 5533 7763 4686 2646 4980 19956 2934 13913 1890 7832 3035 7116 4206 6589 2526 2022 4982 1533 6701 8381 787 10013 4123 6768 7199 2793 4544 4288 2828 7064 20177 1890 17802 2906 974 2880 1626 1026 2831 11415 6017 12413 4312 1344 5648 1656 1187 6210 1659 17042 4213 8239 2474 3353 15501 5743 4560 1544 2649 2563 4511 10172 2399 3670 8528 9381 4757 2458 3198 5577 10906 3715 2894 9412 1178 5637 3059 5157 3354 7268 4561 8927 1867 9086 1345 1243 1903 7662 10250 841 991 1597 19635 3480 7214 4619 11894 1728 2439 15136 1237 1836 8951 2092 7678 4462 5327 4546 2802 1346 9441 2237 5794 1634 3016 7723 5536 4800 8395 2039 9019 2140 13541 methylimidazoleacetic acid 5448 1701 23098 10952759 2011362 33962 374 22039 1971752 22418 7819 5300843 7544 8228 35668 937238 27487 33716 5148 33773 1151757 36196 2934998 28633 4676637 2929567 9755 12228 24201 29718 9276 16058 10288 891287 6195 2030300 31593 27862 1736825 36770 44918 7327844 5099 20599 198279 5918328 8857 4586 3578620 27476 6010795 25789 22523 10776 15405 27302 4858136 28006 2119585 7023 1300753 21185 2253773 35265 6771 6675 13039 3642 8836 213910 115146 21495 9662 7159 6976500 11458 7372289 29284 1598591 10933 449077 2372 43739 23434 23853 1370615 38613 6465 1289869 12719 23223 23480 1328583 804540 20005 8660 18548 17430 26537 685536 17726 3164445 23667 2560396 15774 28763 19230 2358413 6227108 16996 1747513 2765 32322 14176 45768 49087 4644806 35258 3527293 5180 2098272 4247 24938 1533208 4948 2173 12690 29509 10576 352885 1220284 25295 10587 2624170 3528157 5626 11088 9389 14327 2521154 5464 12972 339650 1939 7881 15548 2481544 15835 1677120 5977 4290488 801 2243052 44879 36136 32721 73274 5645931 37608 42821 38465 949767 13506 3716080 2052 2637768 2837 15067 1713379 26038 50298 1374554 33991 14069 95762 17440 12947 35661 41412 704994 30969 2340 23130 21843 1990603 285933 22935 3125319 14831 44391 21119 2180342 methylthioadenosine 1197951 81273 1004170 2695 2205 676244 92295 2333558 7383 1375444 640951 42186 22112 86214 8765 93445 243752 4646 873276 30969 5937 30481 6316 10062 5826 8196 121784 282164 64205 59097 574459 128665 4344565 6120 159274 7830 72380 319141 23124 32564 58228 19221 416334 257136 55606 23280 373747 217201 28713 250177 22174 41520 581820 116265 989431 944293 70951 557977 10966 312920 3170 589125 7644 29151 71929 19630 85520 11052 156653 56552 5405 12509 2446351 42240 980 2277597 3300 1255255 2139 449859 17054 235315 648723 251475 125841 40385 204424 237675 26624 141146 17662 43432 29722 75867 204826 121191 581755 115794 497726 371 210300 1715 2890886 6730 1026917 951318 66996 1670 2336 69056 3775 32418 39343 188950 303938 91936 71421 316420 1922 103216 96307 281057 851573 2771 300080 942789 1042530 20710 31631 52630 17310 256444 583575 6586 2512 1242083 425685 1049560 25578 9471 73063 11512 6545 104181 586611 182211 62665 233002 83968 79390 3888 178532 8564 360766 262470 789787 5158 20141 16167 30912 20537 82961 150159 2356 85263 9056 156905 111151 10589 26534 40278 12405 23899 586146 144680 815601 570474 106819 351724 24559 262191 171790 110462 233970 31354 42334 191947 3163 1794456 127314 115737 34998 metronidazole 9 16 2 1 48 1 37 31 1367 829 143 68 75 54 84 1284 35 35 8 41 131 2 33 43 8 48 1 1 1 3 3 28 1 7910 1079960 1 47 N1-acetylspermidine 1636772 11754283 471064 1223853 1156222 363014 628436 266688 3227872 231233 894199 3127645 24600072 4411978 720710 5075495 18186097 10848412 738668 3958529 550935 1861312 821293 2290758 973751 651659 950056 5783482 604722 4811787 2442927 73805 102291 2014031 955186 1807974 576616 2962157 5049328 9338275 1463167 3276132 856877 395915 3009125 1211961 2700650 8076733 633228 2441287 1549414 13030302 6646086 6318342 3736563 2835072 3194077 797851 2467664 12382880 1827088 415794 2002100 1122909 7202529 8323250 11608021 4349047 15781992 1687937 2384307 2390409 536406 1271378 1048293 446124 279078 2582329 86208 674511 2479158 721893 3827942 956754 4335407 1098318 686112 20275926 2026739 5582564 10111710 4536301 1639892 5828033 1328333 4506391 9839038 14232753 27220873 390478 1410976 812675 1568863 2890554 368984 289203 7608622 5901614 942873 5851142 702807 9288542 8402090 790322 1795376 3474963 3928221 9691287 856041 4084661 3853920 6208224 4424636 3727283 16771451 4666301 541869 911951 6294603 2505106 2361315 203149 1098374 1327876 3611296 149860 193922 107594 4818081 1339573 8593083 4559496 4323620 3377431 866290 300863 2986169 642142 6897498 5087692 611025 2024423 1465156 1308669 1030498 1311279 35278687 3471424 12394365 10915965 8137968 5943381 20457399 1271688 24857339 1770652 8246822 6484088 1541738 3547373 781696 2339318 1608552 7780642 8158096 13648155 11916614 2272921 549721 1253839 1925072 13181293 310805 2622143 1831300 2658684 2538737 1330047 2202408 1474960 3814421 2138412 N1-acetylspermine 152977 1049634 137050 42798 28107 28702 161901 77083 132937 39929 92259 16717 142401 968655 556338 279532 766072 585606 22221 112815 35695 164396 8810 453997 32629 4737 20502 212197 23267 204185 98625 12637 114535 113270 29690 34509 120102 108904 541221 109922 40775 217123 7215 136290 67941 20785 114839 370711 8308 495835 49109 310058 300202 788268 563295 364956 371362 213008 14111 456090 37031 34628 32763 15753 452 199415 70921 237916 287537 30815 6191 355286 64613 3297 20811 101329 7264 31167 733 20136 15165 11310 192867 121427 85935 132 145311 170971 8932 240986 408386 230386 213954 205440 399474 242409 283396 566295 553737 17353 32955 14641 622116 95979 362724 318606 286891 21405 10601 58508 35958 847925 248674 556520 71024 65854 255306 471375 6965 38390 281415 254678 51281 285654 1288479 169438 48941 38973 568268 69313 70086 141366 137056 18598 172963 115111 17610 6638 143902 3927 345712 516252 56771 315549 296274 127696 324409 145765 92473 592272 14723 161057 37950 168385 56722 62912 179815 118517 422620 421917 282267 344599 296367 16469 387599 50191 193950 445373 42816 288208 81780 81045 154238 220580 156423 563465 1447404 65400 14191 7545 52317 1394805 131327 412168 104537 69715 8317 62947 39789 8579 159522 249318 N1-methyl-2-pyridone-5-carboxamide 18184 43738 19754 94504 111228 23687 32187 177992 206773 157078 58112 171799 80484 462400 83420 172085 103555 152957 117721 223181 92786 146352 88368 297641 34862 21108 60692 89047 147614 146819 69942 62743 94049 64601 59495 85195 162393 150117 151541 74372 86350 151417 61172 216711 119727 84123 48238 53884 43763 287487 46898 82773 61955 99276 64836 345181 32953 170247 18826 30702 141624 382692 68325 289133 75803 68683 77160 39543 149259 92708 1977172 521797 560430 313094 92264 474874 34336 417220 30140 260038 25506 45770 110729 187994 98737 286262 117350 56279 119092 97065 64455 178884 126237 117814 148671 99443 74661 23093 35348 71818 189587 30406 129134 38245 198167 137334 96202 146698 21670 85712 28893 48244 157070 214612 148489 129780 157683 79144 76208 49899 183282 41071 165249 134151 108847 51055 55558 135526 84767 110300 46207 106061 173646 48931 41682 98528 233680 296304 101033 50278 224088 40423 29718 55174 105986 84589 377787 82415 170263 7651 38478 78342 56494 64966 100579 117540 163044 60648 123380 119916 89995 50984 207077 62831 97868 28537 171631 195751 63453 155396 89583 94564 134132 47241 96564 36457 60265 170906 143216 118054 137984 67655 254378 70276 1792574 561186 138544 125350 197450 224212 167562 106761 "N2,N2-dimethylguanosine" 1586 586752 2967 29595 39787 19744 252 21736 629 2287 10704 132094 2418 45567 229 42723 11032 8562 7445 19649 20394 135 106668 19526 19132 108745 43765 51786 17002 11301 3531 12656 914 2964 32412 50147 12139 13056 6674 4259 11733 11831 22844 37864 35412 1438 28099 26945 19373 4974 626 660 72253 1583 94531 204207 9669 5970 67317 79876 11503 20750 442 68507 96722 121 40943 12668 181 2927 54629 190 18233 315 74180 36602 395 1137287 409 9276 29162 927 80813 38313 1200 1628 3047 25641 29752 261 717 9012 13262 18858 4911 37064 15100 5410 4129 76 10673 33674 24918 15675 2897 7486 130908 3731 19174 20838 33041 15543 43585 73309 7655 63787 4698 10998 223031 9003 2059 168 20742 14388 10362 287 113756 4851 13429 6801 1061 1212 34547 30590 8815 59430 49624 2519 1515 7242 26071 18 22131 190295 21878 426 1130 71924 37715 115758 153978 35451 1719 49755 149 12816 21291 3124 3518 13100 2541 17479 6780 510458 38351 62169 4401 149 552 24410 8336 8425 461 33610 3161 4272 21460 594 6379 194966 44126 "N6,N6-dimethyllysine" 53862 220411 52617 50892 10072 26531 39789 29484 27498 16658 28064 9862 286868 143540 34950 105646 135589 48310 64023 114544 9421 22734 8706 247033 15262 10767 77425 171690 50829 54865 106047 20500 14921 9803 49563 9075 50239 77964 101343 61982 38244 113232 84159 61612 67408 9938 63310 75492 97682 101420 119176 190868 110428 228733 258758 102185 15235 194483 9498 153403 13115 86312 13412 88197 70792 36044 79243 195064 239448 126617 502856 144568 102828 52084 12332 94109 6202 257615 19639 50483 11136 41550 171881 60383 53778 3506 134653 91457 12610 21421 194246 171855 36611 103021 108571 268882 175322 134559 236191 5862 63203 5096 219072 11075 40981 70457 48578 21421 6897 77168 7926 197789 64176 317084 81036 49694 63491 317341 6523 60509 144368 74901 43040 9246 115865 47504 10369 42343 46348 69967 9600 24290 265856 5949 24319 127940 111862 105748 92267 5970 123284 113146 6013 155167 229655 125564 307875 91979 36607 133050 7127 197146 17125 118481 93093 58371 160728 46887 148434 128538 101623 105900 136992 6728 168422 6521 135369 131582 27499 58845 72966 10945 183856 156372 34463 171788 356288 64685 28363 25713 52055 128605 61677 136299 91992 100579 19893 10207 14292 58446 230661 30819 "N6,N6,N6-trimethyllysine" 829714 4078778 1030645 266078 261961 608978 200545 526138 149714 370313 181028 216363 2411044 311527 456273 584659 793107 690140 1189287 783703 219547 431725 242861 994798 246871 141917 704837 5758921 847362 622105 4551122 434677 349233 214191 577928 202598 743808 685966 246546 1618922 486833 293323 1633139 657608 179107 185362 1078982 2488776 329523 934570 208709 795408 823727 1576042 1433100 941448 150037 1323941 155100 97400 167250 561005 167799 536771 4043832 276739 306655 1686912 2372133 6432203 3411527 1303974 525104 227147 168607 284050 211950 875675 170729 903703 195125 929699 11022719 1176973 872994 151955 606956 5425993 240789 403775 4115554 1442766 170216 268385 867046 1759917 1420823 1134772 1609058 121337 785242 96368 1158694 136079 928985 833889 678303 234296 123653 3744934 207177 2256265 623567 1843608 519438 375637 641338 1002722 135243 1570750 471716 110992 173519 191035 207081 137405 287231 735794 731549 225173 145109 475581 1157314 93439 158280 1019687 754610 947848 1758566 141019 5591323 1744154 193156 1409453 1504508 1016460 4383883 1026423 2817070 1111804 221463 1239747 297737 764128 566096 647893 3201694 195689 702975 722200 816358 227780 1718729 421346 1532444 222249 3919224 1169710 247901 461265 546832 163193 916269 4041078 170772 1214358 1766690 699419 352548 227765 703188 2478713 998840 1258045 298945 6545245 597907 163845 493734 1218241 2774286 177103 N6-acetyllysine 665833 175208 1143749 167402 190555 3264602 101360 2177848 188153 1159218 233340 154641 306080 142937 153941 433466 896877 69407 189785 2250298 144987 1516852 199256 1035802 294230 225567 391960 704128 812868 135301 460512 1090266 1157788 225407 609546 206544 1123681 1757400 368688 1170274 404220 693833 6610453 501126 258399 217887 1649551 105288 234587 466976 452454 152252 125028 265887 407073 895435 165794 365563 451283 517027 416880 2334146 331904 458599 57304 206546 178639 379573 1463990 89631 2206006 1910666 1002819 261639 158245 1894644 49508 421325 33294 6107025 288325 269011 956425 1644150 1383459 207053 626899 1256455 271874 1023826 530046 328598 260224 263638 118131 165351 1251701 356344 1166769 59012 1041319 205645 669500 183025 660094 419611 135728 166675 57368 196095 42756 4298296 495304 3413261 412632 394406 505217 149953 189781 435298 165622 105334 806753 149598 145323 211007 39535 272082 312399 470449 121138 524986 350014 78436 285344 570566 592099 400704 12879724 299571 1451247 4254078 255365 1603747 698525 125486 151918 95769 115398 189394 93217 820798 310428 572417 1064088 1596725 890984 243131 310768 524670 235100 120498 1188431 121990 1499391 135423 104425 5759350 258526 632933 1819341 350697 768236 1060564 158802 1298054 2559234 2076170 2107369 296202 499875 55942 474205 592004 139244 128330 263674 125350 368319 305881 94137 138065 N-acetylalanine 6293 5834 4727 2689 2239 3172 5318 1847 2429 1883 3824 2939 8629 5913 1936 8315 7171 2105 6411 10465 3839 1967 5793 1606 1347 3030 1266 9768 1772 2177 9739 1665 643 637 2702 2045 2674 3805 4231 9704 3286 1917 7650 1497 4590 4968 5828 8060 4453 3365 3458 7230 6602 7757 6938 3706 2553 5226 2937 5883 6706 1974 4175 2265 4260 2623 2739 3023 12119 5261 5731 5728 2955 6889 2623 5879 2193 2689 7109 4189 2732 6160 13735 5176 26116 5186 5446 13304 5845 14224 10085 3639 3921 5576 568 4109 3220 2908 4201 3917 6104 3526 5961 3692 3180 3143 3300 2266 3742 4714 1562 7686 3894 14697 12790 8212 5015 9458 24640 4920 8040 4191 9429 4672 4818 20826 1944 11925 10528 4232 3428 4957 8502 4406 5499 8821 3610 4886 9213 2891 6084 3892 2277 2792 7118 6164 3108 3983 3507 4083 5010 9024 5774 2638 2781 4378 2687 3579 5714 6702 6963 3675 9611 2356 5082 1999 6610 5024 4078 3072 3066 6865 2774 9493 3056 18528 9441 2573 2694 3196 2646 12815 1742 3774 3471 10276 2620 3275 3179 7360 6579 2323 N-acetylaspartic acid 405626 27072 1081946 3326 1296 903153 4832 301034 601 742701 97680 599 6385 3261 59248 16105 319962 5798 213620 16617 4322 19793 8089 56693 27277 19987 178244 14744 41007 41383 46529 287316 500689 1584 167623 943 36105 40334 48 3339 62749 246 234309 48654 15449 7570 92356 68612 8934 26885 12087 93062 169662 13228 75704 83293 3136 35236 3957 5455 1735 35862 700 4542 4089 129841 666 38549 11537 14035 114566 21142 389288 26568 2332 564676 2402 332063 466 467215 803 50130 51987 94047 289854 2197 46732 39406 662 68337 5112 12118 1053 1591 13043 15501 49666 14311 33521 2259 72041 2452 84900 2048 32824 21931 88966 1170 2884 86833 1057 155460 264753 456078 90164 24614 2474 163210 453 14159 2402 1239 16048 1484 4557 5737 4522 10216 69539 11092 11004 29160 436522 1014 1049 1056699 835533 786848 6389 1621 24764 169 643 37878 59463 32696 11442 44385 11529 45613 775 93953 948 17254 57540 76817 3491 1522 165986 178391 184901 4889 228736 1327 2038 3224 14268 136158 126 48929 42694 1054 78084 24793 16355 25824 61966 130534 114653 1340 51888 41615 136607 27674 4117 118784 9443 7056 261229 76041 7330 15308 N-acetylglutamine 67539 2741 121586 9264 6071 29130 3327 31953 8801 38723 151618 9208 31704 5991 4712 14569 13889 3411 25134 30376 6598 7142 7321 12631 10582 7136 26945 15041 22411 3503 39525 84173 115432 11099 51677 11378 15150 15484 8716 19581 10340 10244 521134 5590 7989 9111 104315 145971 6118 15364 9803 3251 2469 109972 23180 18282 7903 7030 2417 21014 9697 10968 6931 6244 897 6106 3011 7429 45114 1827 43175 26074 91906 39507 8874 172512 5647 99376 1054 40224 1692 30123 38363 18792 14363 9988 8045 49394 4590 27904 13095 6748 9670 6331 7594 51576 48873 5129 24318 7533 27644 34557 10668 11464 14544 7534 8516 16451 10604 2208 9031 64466 4352 47023 47191 12274 18595 10635 12012 40799 7556 42071 15500 3957 88711 51022 82341 12719 65411 39029 7914 13071 125555 14607 13658 301426 189340 132132 16133 3216 9827 21538 6790 10193 32809 10964 6450 50633 4565 114928 10262 16827 10693 4700 11264 22993 598 4494 4587 4716 10141 4349 99379 16920 62878 23390 14294 13431 16115 16670 15386 11975 17779 85751 7734 17614 99565 70214 31128 2579 13383 31234 9257 19189 13239 4804 389349 5311 51290 61995 6816 4735 N-acetylhistamine 910983 10923845 119034 130937 6444 27679 681804 472401 1093 39871 858189 4220 592221 975821 513221 2417076 203742 950174 118444 32007 213308 1349 230798 12451 693892 570099 10662 15526521 51173 27759 3056347 12114 192237 3386 42974 1335 395312 1791655 6659 1841448 101654 6543 145180 55029 61956 1441 433490 401165 4980 27607 17041 31806 100761 201552 562889 5409866 28054 915844 37757 506885 296259 1014 509240 1981 3483351 6289 7418517 1397905 936472 955691 665732 888606 167450 1736594 1259 54963 991 27238 23559 22531 3468 170706 1982017 47947 52411 771721 16696 398395 374785 3940 3364367 227969 446416 724168 121311 320780 157261 530048 25785548 118402 55055 152459 299191 1574 102248 17604 36186 945 8006 865351 215 904371 110661 1805813 9399358 5983 677121 1559343 406885 9225454 434660 168638 50496 675035 4296579 153643 3751571 74878 345773 493155 1005 5215185 390725 634 6478 64751 544 15321 1254224 1938 200901 74973 4114 42906 77721 9203 982454 45566 60115 239039 17595 284808 386562 77363 22855 7456 1871225 2663 18788 66224 115603 860152 202532 1344 143646 3301 366807 463418 499632 387957 103684 633849 425308 877026 1105770 2099730 1004391 23282 27412 4844 33197 1944556 23286 33585 908953 717716 174425 2629 55860 156921 1546370 958630 N-acetylleucine 5215 4574 2045 5061 7331 1062 2506 1679 73202 838 960 24980 4529 3762 3391 3655 1911 960 2083 5590 5110 1067 25869 1366 5805 3906 1031 39703 1368 469 1233 509 2442 15107 585 6765 1131 2954 9886 852 3130 5647 3822 630 3810 6350 2394 4948 4464 2199 2564 1213 920 6349 2648 2827 6338 915 6033 6774 5594 1337 17115 1069 6779 1053 2518 4643 5663 4393 2765 1813 3714 2552 18718 16332 19684 1621 16249 4282 9228 3793 21903 3044 7967 8865 3780 32039 6019 6994 32812 2010 4354 4105 3121 8569 685 4618 1046 10472 4353 11568 3696 15514 4791 2410 1967 14265 8560 6589 4540 51365 1441 5542 3499 1831 2986 1934 8791 7982 21333 2707 947 46979 4950 9952 2271 4362 3736 3362 7520 4222 3298 4748 4672 3209 2545 2570 25854 6908 5807 20731 3689 11311 3173 2845 2500 2932 3561 4282 12161 4177 5902 1082 2087 3328 10740 5715 2281 2476 3509 2071 5245 7394 33299 7892 2923 1584 65376 2347 2657 8717 1828 11951 2191 7267 2948 3465 1737 4312 688 10126 557 2915 3062 10982 1023 3161 1965 4638 689 1283 N-acetylmethionine 2873 1230 1388 213 356 1633 2059 3043 1039 1291 3045 1262 3811 695 315 1193 4168 600 1972 4019 202 156 108 1651 1079 213 1336 400 1676 2715 53 2252 1000 1481 109 1444 2699 1352 16488 482 316 3867 359 423 350 1765 6546 121 1847 50 7789 483 4508 9206 2058 756 3008 210 33925 1146 721 738 793 3103 2212 1497 3999 13112 295 1337 2435 13039 4533 1028 14627 129 4651 350 5318 149 2487 2238 1504 1011 946 5271 2269 1308 4494 1032 658 72 89 941 897 292 688 650 57 2440 205 2851 53 9527 2013 839 156 12 2998 1119 4034 2876 2660 2124 694 8894 4 2817 1566 6721 2178 165 8501 19524 3369 4143 6835 225 575 974 1553 9 171 2858 1833 1651 2587 5 1071 6187 932 2615 6216 7730 89 6800 191 1654 121 5779 403 1525 1349 3174 471 3261 1659 1848 33 3467 478 1274 112 5560 2771 295 3316 5261 417 3288 2175 21 1229 6105 1510 1646 354 1473 3324 613 3156 218 4294 25 2314 7705 3192 463 N-acetylornithine 222887 56055 246430 27150 18561 999030 112045 1922319 15324 107450 698825 27896 672075 25908 86097 57568 179162 22816 98090 181331 13580 527760 2615 67167 16524 26706 84274 288992 190440 50325 176137 360392 1234007 26138 438663 54228 288606 487458 68374 479899 132405 58879 1394442 140305 35752 47471 145742 369007 34396 791022 58139 38903 104356 304179 57360 722658 27385 160399 41616 163301 36150 553756 33544 86322 16952 89417 38052 191713 102830 26181 150949 50608 2002881 363391 7869 910561 3882 447948 28163 2989913 56513 133239 215387 419255 125137 17387 103529 119163 41144 324608 117434 295224 15674 19377 159594 98565 466444 68981 413468 20946 978975 30152 207779 21630 1100246 384179 42630 20948 25452 256767 18898 2272988 117415 3149270 79277 144775 41003 158736 9130 78979 28002 40240 196097 14140 133049 94260 49926 79685 55281 17809 42410 274782 295065 6695 29885 796234 504555 254414 197480 12363 196024 138014 30240 586209 214766 109306 36111 49395 26841 116255 45600 318944 31450 23286 106054 1499944 2948323 30723 28375 175860 442700 65319 750082 34423 142666 11101 95841 1983968 35851 533549 104370 27611 28287 216293 46080 320514 48417 556829 439766 59147 101378 338018 537161 179270 5140 870981 91249 3784 51695 52595 43793 6401 N-acetylputrescine 4862006 20785837 980360 61489 158299 377944 10305031 3504235 56548 95239 852703 458277 5023377 10402349 1013318 27181 1670570 800419 2528025 1897758 17144 711266 10100 3411307 21846 22348 234720 3680860 961331 231416 4686261 743995 877520 61714 1943232 30162 814056 5385077 144609 4112964 5099262 381659 7412420 5093540 145552 129740 12695772 10609721 44504 2049781 167882 935629 2029061 17297831 4743266 7180423 236505 2646826 104304 13037498 34719 1181272 33624 1273288 1344197 1114282 7401327 5698171 6507579 63104 4215772 5786547 2458407 6532806 38824 2348978 10837 4508255 136185 3657856 62869 3208354 16887173 4114291 3354093 71268 558838 3119101 156802 3455765 11492066 7167164 109089 87332 2823988 19821936 3649211 10318954 5949126 39057 1958205 13931 3988627 33732 2649179 1950848 1625091 107441 21395 4001072 27242 54301830 2358419 15754122 4761887 2072504 49141 1615108 23379 5390608 142453 7062008 547014 17509 2578651 7144785 3137510 14268020 2349944 212420 254062 1578619 8974832 8028 47003 8464806 208121 677971 10824426 38835 4087173 7597032 123630 2955634 4373766 327355 36347 1448491 271234 17870255 17800 8229003 27857 1292457 2148310 1672592 27957126 92912 475126 3265253 3253103 67461 37040219 14806 26158003 29815 2313952 13720890 52803 1012692 986701 27731 1725984 7325728 316997 16161174 10237977 4232356 752066 75443 1775589 10478994 2707448 3502202 24956 9024220 1747076 11834 1769994 3192847 10146650 33498 N-acetyltryptophan 16168497 22350087 23260190 2097527 1704138 12387639 6130281 2023609 2170715 7837610 652402 1248345 11135649 3742621 6623610 1801113 6829333 1287571 2118458 60188388 2061203 3834899 1914103 1854574 980069 1178658 1110388 70458092 1835166 1672271 9344413 6874370 16477367 1557159 22385796 2148109 1695349 3483936 2328521 1934057 744854 930527 20361944 7839711 2032665 2400351 24850942 13978407 1276746 3502918 1642076 6955081 9072433 20029004 31407194 9821003 961444 21620656 1156824 12913176 2075472 6331841 1547055 5949079 942557 8925149 4615280 11064479 64750356 437195 3414518 4349649 6155865 8331595 730673 8021401 1395379 2140249 2159430 9537673 774786 21763219 29303535 9435975 24062868 1900517 3336526 15785088 1521505 7805513 5066785 1095533 2435023 2672997 893848 4485352 6710115 1137362 8341374 1401329 13945391 1176633 2272439 1358046 5502686 3642269 3948349 910990 1323791 1881724 143346 22817666 6301603 13397567 79122523 4180847 1990787 6428357 687926 16537081 2496041 24116777 7880995 615802 22017934 85945255 8513834 10816448 33748847 687695 1044216 38167656 14716863 1442619 1819290 18648371 15561333 15225638 71358252 1386223 4722315 32952862 2327380 6095909 34580198 4326601 1900391 7154606 1046438 59898531 2640578 6757471 2182211 5346891 5579922 9820607 806055 4072756 4526788 5949478 677036 10235595 1362287 67514957 2124406 2469281 16498965 817389 10815184 5509558 1613303 1509380 107630834 1761407 9296282 52643258 64182442 22001550 2902690 33138725 166548506 19004294 22119253 1324983 83658452 18077053 1720574 21060513 9151088 3678818 1706141 N-alpha-acetylarginine 60142 163157 84953 78196 124951 318052 76037 156184 58817 231364 164550 98031 211360 76385 166463 142465 116291 283007 131583 304823 52336 231803 90697 155140 100405 66248 151927 1252638 440678 85663 196706 124722 359683 150011 867000 83595 365430 378392 124151 91137 58301 126012 1392799 25826 108918 100040 105031 50725 290423 270895 143318 167469 44498 791892 63191 183456 112105 56508 117501 572927 214364 58841 124233 103332 123530 147869 74341 29505 275085 86519 535790 132658 1862973 222960 75917 1282413 15325 1913327 58427 304495 214400 56088 853836 76734 709705 165310 201908 708812 146793 449445 326872 113431 155594 115175 69392 316159 13841 92959 99856 26226 255458 117755 162856 147699 208893 77856 191996 91632 34442 60070 19136 82307 75925 1782550 131040 113730 161773 77546 90450 384593 427783 42993 199127 112550 106502 94800 40048 117265 140617 174107 56092 21717 188035 58188 122362 582510 1395714 1416158 172345 47728 192198 111983 51500 139812 1768166 234816 75073 110786 165020 118012 31229 790118 110995 183871 107353 199777 292453 132615 66982 58650 28294 29230 394855 158572 150897 156757 128100 60521 142146 95855 205763 198306 229091 3517347 48527 737035 206962 170011 198796 356847 47751 52708 60874 95979 262197 14150 130799 91318 158488 60575 163257 75544 N-carbamoyl-beta-alanine 10106 246031 4883 627 888 1631 11544 7773 298 3943 3418 160 108192 50612 421 36581 26863 1064 10802 20403 174 636 119 21091 4770 3303 23310 26230 10317 308133 7620 852 132 722 8100 3191 1622 10403 2553 65358 4284 814 4058 17388 1186 2211 23543 45194 612 60918 74 13147 9127 29073 3403 13328 1593 10092 7069 461908 602 30895 670 13587 752454 631 3390 2716951 76780 3922 184240 118099 101178 9868 414 105644 162 22594 2149 12741 2063 24317 109519 6443 6436 430 4522 26944 1565 59155 2814007 71769 220 484 28939 146739 84269 1496023 104286 1003 7106 491 4719 120 2186 2277 954 3142 371 47204 50 169864 2937 1721 8756 3680 1744 2027 17 151595 873 14788 7218 730 8608 46404 419 73008 9008 7960 3717 1360 82965 118 613 2428 16966 7002 81426 5950 15581 87965 1929 12238 3275 1133 132 5046 702 246990 103 45073 318 710 5359 10372 608322 2721 2015 616 3402 1554 42706 659 521126 66 193833 5389 143 10692 4817 606 8413 80796 2898 68087 54248 4035 1959 2592 5206 113860 12856 9869 3368 10025 5503 179 1871 7097 7571 296 niacinamide 10616 3563 10565 10347 6671 6910 3134 5025 6458 3384 5317 7172 8558 3527 4761 3199 11394 6158 4864 4611 3527 5411 8264 5050 7468 5735 3703 193895 6010 6023 4867 3738 4622 9788 7648 7104 8033 5155 6767 5571 7441 9777 12075 17420 13946 8799 7336 7659 7357 5964 4589 6549 51994 6797 14225 9186 12959 11143 21139 8516 11763 33937 9257 8912 20638 3697 18067 4810 9302 105352 10763 5978 9096 3879 8593 6404 10351 6441 14270 4818 16109 8060 6761 4535 8990 8781 18419 6053 8656 4785 21565 11234 12663 23929 20984 16932 12887 6682 12051 28699 8581 7827 9043 13424 6421 25526 11344 9312 7562 4629 8079 3968 7537 8200 10620 7491 8011 29258 8775 89234 11885 8777 8388 8208 8062 12999 10638 12147 8054 10523 17577 15310 7657 3206 5219 6321 7100 5170 7271 4251 7272 6664 5089 5438 6269 8072 5439 10766 14187 8176 5844 9720 5175 19313 95890 9561 7270 11686 6470 8156 7727 14772 4795 4873 3587 14138 6935 5049 6629 4868 5153 5764 5052 5093 317095 20722 6236 11007 31836 6669 14230 4424 6069 14213 4947 13108 10092 5153 38349 23112 13401 8355 nicotinate 1334701 4151868 951179 2327787 4235224 496956 1661295 706456 3605192 793643 3078241 6005100 2775933 3909551 1707567 4517093 1338814 2735536 78039 1801437 1163150 1921990 1160676 2579769 3771233 2240361 2148640 1235910 1710161 822086 577780 647234 2707939 3205876 1026105 2248573 1508152 3143310 6868921 2711060 2067145 8747153 3023546 2687708 4633591 2308456 3411314 2716435 2159955 3815545 3298889 1543612 2774978 5039130 2112012 4295276 5917650 2690931 3478003 2996887 3142312 1550525 2785863 1960882 1126228 1983626 3773361 4984184 3446845 1949832 1505221 4844712 3309293 3904933 1653975 3133120 575330 7314455 486810 2482604 3121935 2514201 10168339 1773840 2545164 4978897 1545088 6179540 4270594 2966085 7021719 4893422 1541119 2495083 3430295 4632655 2717180 2261747 3396772 1257405 857296 2499034 2234966 2389501 2208834 1756311 568245 1740328 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1646696 955883 2455185 5913724 5082445 3103870 1964729 11257578 2769442 11678217 2339752 6117187 1052103 1257342 1114574 5807551 2248115 3512023 11761489 3147525 C14:0 LPC 163050 10860 612 546 66841 338498 420 391853 185255 1371 80628 4397 63928 11585 163229 79826 242346 178570 7991 759176 11463 269541 14872 4201 69759 10836 185681 533400 54059 2134483 678732 3654 141605 484 293123 45865 4117 525903 494891 12595 21381 497092 10856 129364 143501 199036 1087 282742 14602 881513 150508 80914 252084 244546 3851 346824 983 179100 1278 1408241 1636 1581555 3498 400930 25276 2870 37894 54667 42232 1465410 14063 6218 6174 189259 892 21263 1318 432917 7389 33697 9226 632133 512774 19 641986 84479 5211 1187109 11231 1909435 7442 3888 2476088 92425 21633 21064 36124 1933 58750 8445 124409 231 676768 1017982 541972 757 3800 44068 255 18169 1199871 109347 184487 1207391 5739 218146 6076 21773 5540 34902 65736 6415 16083 23876 1503470 344836 783419 83382 101696 1871993 243648 1096 8750 43380 787535 406815 50311 2473 15040 2087 4679 191686 15283 149777 13080 231566 15433 1536 15450 52725 27829 69855 267348 370443 23851 573 1004434 1403614 4859 9439 3489 3812 3766 88917 64979 38532 1395226 773755 17908 727841 147851 12253 388805 305048 106873 79093 20687 660035 82464 971005 417837 38484 87409 836817 30971 1116331 182087 81056 9625 C16:1 LPC 119381 1319 29808 168980 326109 102600 44739 6906 216193 42584 290744 97123 221 435109 188586 2025 38343 1930 143219 516947 31214 2057456 265147 128088 111028 10950 514567 465173 846 479754 5173 61922 121021 156576 66958 819468 205823 177675 408716 200379 1916 396080 17708 993887 298 2378782 949 652676 6828 837 29647 3837 385195 8219 748 80430 2105 184 189586 12268 3984 448770 379187 826 1001389 53242 438 833403 4633 1785074 680 1676358 80926 10476 7881 21297 3071 49233 272 105642 333 526893 528866 569793 295 19838 1091631 125449 191766 1731056 2684 311254 545 26687 30740 59433 22978 2328 1738960 547967 847995 29798 4398 1619465 267268 349 24135 919808 230866 14771 4870 92653 2809 329670 3919 3030 32812 67037 398456 232896 603503 327111 2042 1583 454 34230 522927 1086878 988120 44590 27442 476682 684175 81807 51127 247 586447 71934 689544 952834 12551 44259 1171022 11329 1206790 243216 81123 176 C16:0 LPC 39693587 2642059 7787584 471999 249786 15716578 2237238 67315084 258992 95169870 33292511 932695 18343646 1371067 14647733 2032506 40163902 16752800 48713620 37929858 821730 98414028 458955 57742530 2672936 407086 11821491 4050036 39700650 75175096 17362144 202257390 70171545 279152 42694347 88631 48351564 12652190 267802 59275739 121322360 116470 6194752 36917395 3143346 16251326 28323559 35728639 143348 27858859 176522 88703380 25976808 43258286 58474763 32360673 1145599 69840736 153422 40728061 392412 97623259 669115 183725270 1702401 84227442 4262552 575554 9295154 21624507 7442732 75648807 14185823 2563875 827828 55719985 179742 14645041 221651 46924715 312020 8199523 8219042 112770934 50053763 428763 117496330 23310915 372726 106176562 6089449 193952376 886569 311652 144732008 25052735 5748498 6743814 5518137 666702 14256373 146174 37828691 160854 96543023 122497314 82943513 238959 226169 14924852 216801 8370899 111287911 46173861 36679498 140823157 3055626 42510606 694872 6464179 1319837 14526083 12374705 434642 12175878 5610808 119033005 69485383 128585563 6343744 1925796 149753025 36396022 210113 369104 8818096 91942590 37882214 2120195 140865 1475896 563898 299904 14234847 6529820 27207350 4263134 47084807 5534475 3903041 68082 18905752 78409 25811412 69992528 40128948 3904571 310324 76177864 64125449 2084097 2409920 609244 621401 546962 286937 11791516 2978672 611093 89144222 100993983 170214 91012425 14213098 1071282 51340513 66233118 11555242 7847595 334995 80627833 24127484 114481587 92077292 3097743 5326325 105689411 8365375 82560511 31975205 24106819 957014 C18:3 LPC 11896371 137675 4053406 144583 40257 5972204 333935 9292033 1076 8150742 3045203 57219 1062449 89491 5836462 297976 6205184 5832990 10700275 7135459 65567 8117333 55789 10324821 124899 18138 1221217 876699 3985246 11186226 3366851 18908654 5648120 23872 6357455 2164 5539458 1638149 5685 6908495 11673669 340 743317 6615670 231991 1197071 2981656 4590925 10592 4119417 5641 6637189 2889175 5270940 4631204 7856660 144461 6961122 17193 5806459 37272 16524147 88028 28038854 782168 5711627 390336 103172 1257037 1472361 2145286 6351321 1377838 226565 34175 2709624 4979 1387553 53643 4873033 33785 3385350 1485592 13608013 8708010 24630 12516813 3246181 38182 5705267 431974 11104747 113096 14750 9601421 2285312 614299 573293 374828 55252 2229929 3769 4428598 6316 8684844 9711345 7334466 5587 6912 1111088 1056 1676177 11828605 8626185 5585156 27831171 343372 5952756 60438 1314644 81048 3925866 3299450 17489 1919965 1693493 11875967 20095016 8627245 1344981 73082 21592093 5316625 24453 27767 1458929 6879015 4998835 871374 5616 82045 360293 17458 3276712 966163 2327210 189031 7928449 579477 732899 742 2844713 7181 8392640 7859054 4701403 642227 26698 13997845 7802270 481594 72419 114351 99518 106218 55833 2934818 873036 13968 20585092 24022989 9703 18504950 1941045 71271 2446382 4478368 3555744 3534269 46319 6870173 1370294 12792180 12255897 287029 770358 23047451 390500 3869719 6269515 2281134 67250 C18:2 LPC 45364 355 17527 11425 12141 22919 161 29450 20019 26622 6033 33088 28941 211924 128429 267503 347461 125228 2594699 161156 92435 310214 527130 224224 63445 31081 19588 14360 74396 732700 275075 1486188 145716 18196 159904 6240 38067 12364 3518 129859 85249 10748 13283 1483975 852641 32147488 136555 180776 18345 125520 26071 508333 100123 183690 539410 248730 262957 636521 50172 177586 53771 956809 140910 1699446 70283 589985 133991 3028951 16304127 39082 271458 42080 911 116911 71901 42545 41897 17575 143580 198906 110891 41704 376363 83501 39201 552053 31983 2764 169258 827 147202 71755 63171 184076 10674 596 1798 85 71936 14560 4127 28842 7039 93445 82765 84250 3765 62240 40607 54922 4868 840635 188335 89775 1065179 615748 322431 248147 53257 49052 224119 68650 75782 37550 30389 748928 459035 322639 91135 85917 734741 202985 18834 223176 41747 760714 181042 6528 22192 289310 71315 80946 7284 122014 727134 460226 3076205 24225 53929 35276 20376 241499 447809 207253 2081 49333 276981 80214 437 60158 412 151450 44320 207666 603 84444 135565 229263 6365 225411 1020481 41121 88012 219264 21753 32026 38303 58076 6203 90347 120267 16110 48621 95587 682326 100863 24213 9262 3726 C18:1 LPC 410754 36151 51920 38131 35750 504557 19659 1188696 24540 1670857 634112 134007 479831 170678 302017 226290 2701827 656650 2429366 749205 135140 4492145 57213 1863096 168181 107398 267819 142313 1179829 4841627 744304 11745020 2922503 18495 1012025 10665 1193693 171160 9975 1786676 2713998 9715 195756 7282335 547019 18501136 959612 1036364 17296 725475 12410 4143181 665309 845454 3917592 1258220 540383 5551000 9963 751683 54263 7197775 100512 13122389 99884 5735412 376935 16744 2417134 1334825 183668 3263932 167064 43261 76186 693625 21755 187588 19227 2168414 85428 139768 144057 4570367 1257056 62866 8381979 307201 10255 4715810 113566 6488012 345760 118590 6236540 641418 165705 175504 130802 82286 327124 22084 811176 39705 3024754 3348222 1988303 60199 44958 315241 58467 386827 7761791 1507378 968214 8603704 1817336 3012387 125789 184537 224181 379342 433601 35415 164814 165874 8504458 1677768 4031963 376696 263516 8542699 1103841 32676 96875 203808 5327028 1163542 98069 6304 252318 25495 51600 226042 116516 1159863 515540 2396169 1162433 48015 18105 641040 13910 1160566 3798743 1855110 239945 57802 5633658 2834167 74581 224220 67841 168988 58477 86591 849729 204955 98104 3778705 5746632 20552 5215294 2227432 109393 1868477 4535262 385798 710679 66438 1979543 324702 3844664 3338803 104993 288970 3546576 1566484 3961281 654044 314864 10803 C18:0 LPC 5924507 705653 2506216 230886 28825 5846338 1629601 14924172 70293 22262630 9570509 305956 1991839 110647 4168658 267809 4987188 3537888 6817297 6325574 204211 20710917 36545 14301489 948807 186504 1566335 1455087 7795441 20037906 3247924 29781137 18381631 49715 8278173 28562 16516014 3058125 60120 10151831 24228496 30903 2813462 17277845 242623 3188021 6690424 9463126 52535 7643240 36246 14920200 3456561 5732271 8572018 6932005 345440 14031196 21881 7776502 69084 27137757 377881 63141642 258321 33883165 1027313 246649 1137503 997701 2312796 22404827 3215387 951365 288589 12875060 60116 9161875 71893 18704548 6441 2290938 2436745 55656704 8648952 34725 29543755 3951797 64035 27796273 1832470 56371730 319093 48162 34077446 7219778 1358353 976472 635918 82399 2806372 18010 10197487 32812 21282748 33772618 11918856 39470 28074 3317670 66883 3050082 32389404 10383890 8597048 34993989 437683 7243790 127806 1063141 257581 3129372 2441974 82384 2399938 1335891 26395973 12433332 24455296 650254 403355 42361480 4385479 43416 26798 1380780 22740139 8117709 1005683 12864 291551 360543 66580 1528701 1790647 7053004 270257 7962890 1354920 497947 5122 5639890 10398 12967792 13296058 6772468 774917 39776 19752202 18511324 520695 510284 499905 141611 468396 60257 1295960 1357798 131515 26948390 32955918 36200 22675929 2172435 353595 7210532 9060766 3366838 3371530 37887 14589979 4941581 38875094 13244560 465613 719818 20506733 481293 14886063 4901580 2983663 134998 C20:5 LPC 209 3285 1332 152 43 3074 911 45 1763 6285 2919 550 104761 696 7033 112 328 47099 24948 28026 4158 703 239 13818 1215179 242856 5494699 5848 22317 1802 4802 19015 31176 5869 106005 117300 7785 85629 243519 85272 599849 95978 33177 5235 1842300 4908528 9546 1570 1114 6793 6003 14569 94625 1475 15689 790 19631 6678 3512 2523 5693 2325 4776 11243 356 682 2933 1453 33551 555 108704 58556 13277 20825 1349 50480 928 15804 353 11771 14873 755 13544 3646 8853 1166 2582 5451 885 6191 2316 3032 233 5200 6799 85328 685 420 195 2275 2062 875 70214 5545 136 32104 11524 76104 216 2960 3621 38000 3747 34198 197573 1137 1086 4923 5972 2189 833 1582 10102 1869 6273 13654 34162 394 171 2462 C20:4 LPC 37193 4963 209 244 38920 43734 42588 22550 516 6538 3347 18744 3677 117756 44683 131755 27504 87 139601 103452 1937 488 351 2664 12951 210226 27087 613568 57005 44396 35817 5063 328 90864 100512 2848 910210 8048 312387 44587 49028 34411 6 181120 21717 25279 137668 145946 15705 252693 7 38783 41 346403 119 659092 2662 185985 3125 534 121483 38041 8437 97498 2169 49 1217 13945 1623 87892 19565 3021 269592 71125 461163 17788 109801 22354 181068 7895 321 180588 15745 2629 2779 5445 1094 10599 24687 78172 87089 61505 5610 12077 322439 75054 48996 484476 43570 163671 188 7060 2086 57887 27895 31 603 6474 294228 115943 150543 29423 5498 325305 55981 9825 207712 39192 12817 2036 81 11629 2057 40065 4118 154657 21071 586 292 86383 183772 200873 98878 42302 576589 240732 3441 13910 6478 1283 4846 592 70532 45479 293608 397443 317347 92557 291 61584 188407 33768 75806 57857 6545 166704 169549 1145 7568 326724 20481 98510 45316 8893 C20:3 LPC 1692883 196067 278431 31072 1302136 773905 5910877 7486221 4358359 1025799 1053866 497049 355112 1096722 431873 2364351 2266178 9195947 5258279 105239 104413 795148 1063361 11468869 1218289 7270004 4159834 1971533 1691661 1051447 5547452 10439242 672380 11990518 52446 184232 2020271 3644164 2102029 3687818 915666 1163618 1603085 4124575 3296364 3393570 16078740 36560763 119690 9509429 146309 117124 355744 448023 1022141 20453834 1205383 364194 15019 4365173 1243915 5223651 537538 1234934 14844641 2888849 6122568 1876742 13577868 991014 19655965 7788410 3624230 564736 273496 844355 2403299 6152239 13113475 3070479 2150548 976160 14332451 3049178 1965676 12598210 997747 197223 1024449 674136 872528 306795 10118155 7962309 13981009 325754 19446126 1657732 123385 4466375 1785860 716334 154733 202948 260845 277986 1805764 23610 1065445 29505 128340 2557601 12337409 5334501 2875518 1033567 8580174 15593090 89597 40651 361597 269194 528303 730860 18749106 27900578 18303716 1287833 51436 3183379 2339777 1918342 1421742 7447506 1716418 20105017 3879736 159759 390201 7271430 4740616 3003746 1408889 C20:1 LPC 14003 560 2435 33228 75205 65982 26608 364 9349 5125 4178 3371 98212 16946 57052 13194 1793 89857 303 143607 8589 1902 2850 21478 31841 184275 29514 217990 132870 401 28790 51477 3709 47367 78170 3880 182512 41437 101523 22447 44184 23881 250400 10283 34660 157164 24972 7844 245931 10360 159130 12686 325739 1190 251381 14875 130653 71731 1006 97076 1824 1151 17507 25157 223 107892 3790 10740 266357 22908 13434 326493 6515 103340 410 219871 1949 4525 176054 25773 11381 828 423 6436 59359 69249 135590 48178 1375 20506 5021 224777 85622 24659 182874 11086 184733 1893 2342 4199 4346 8762 2336 2013 161464 29989 130496 31185 77685 223435 29704 4412 12688 246251 46166 2738 6825 1860 7211 32592 32094 97256 17895 31431 95848 122299 52495 15888 470003 200112 3436 12099 3105 1025 1457 24199 27878 137915 310158 182994 129282 9919 28103 320396 7825 24875 1351 70240 10081 264676 188880 823 29163 138481 37812 97359 16076 10004 C24:0 LPC 593 4095 1946 638 4246 749 1385 105780 1178 1992 4533 645 1058 13001 6241 8335 9168 14776 731 22486 7093 9726 849 1127 4632 1116 2368 9541 20708 29922 9149 352 10087 1147 2386 13672 6239 46170 20234 184 17921 16060 2191 3870 9461 204 4601 560 1989 1906 6253 486 4210 5251 2994 1209 1268 655 124 4513 2032 47925 826 4112 13008 7132 4446 5474 14019 455 32184 953 3160 8812 1426 2386 855 1392 8472 264 1938 3027 446 3454 4066 379 8123 227 C16:1 LPC plasmalogen 63249 2662 28172 226 104711 12117 288950 2140 306384 98115 690 95047 21319 115692 11684 737074 247990 37041 103067 5883 348000 7359 732535 87447 43666 46815 204035 945477 49767 386722 212740 4254 109152 2122 231493 64363 3947 81615 231779 8335 241887 6212 2679 52307 71836 260476 1549611 69883 110044 356108 94610 3654 770740 24827 7446 604616 43301 1378984 7153 1103531 11551 14693 123742 11039 420640 100123 22253 7193 334902 613 251477 671 376984 18057 32602 604667 151152 413 2160190 27823 734977 15413 1016186 2546 256 727020 79434 43319 19118 22836 34433 61462 231611 256460 470547 206541 1149 33485 4764 27681 1108976 117330 174076 1021839 691 613633 3429 32653 32467 40535 36000 2474 24805 15084 494132 106377 474264 181554 50866 633660 96646 5262 76505 416440 111056 76820 16547 10798 3231 38103 52124 171222 8065 259524 1046 19007 134576 228377 427665 208653 20720 2118135 1722183 52910 432390 23294 1114 65737 694 26828 223248 759 962011 826691 4729 777734 39965 6775 81379 945044 21228 95842 238364 54794 628338 515980 89531 69483 358359 190 275219 53985 169594 1094 C18:1 LPC plasmalogen-A 32003 3070 47074 2028 279432 231926 20788 150033 384 4537 875 360437 53723 43357 32161 403 185461 4432 427866 18696 6980 19986 51870 463238 52238 304591 160120 573 53857 93282 20915 94377 103211 1359 483550 2480 1236 13696 88110 1376 150230 150 835949 81461 95974 466112 38870 4223 695438 1475 558600 59597 1403646 1442 1113778 18773 913 304696 125711 6397 4553 384419 445 398440 299 427698 1194 11452 607888 64895 1793621 21840 332 448136 9456 675089 18972 722775 54503 5228 785 5481 8569 18019 312121 270392 489825 203661 1777 3810 49867 7497 1132508 239066 67313 610298 1119888 628 14969 4628 20464 51006 643 19893 599789 116687 446998 35621 5405 462422 158108 2725 64128 623693 140280 4912 235 21711 192937 12067 235393 4774 18046 178125 327443 908354 294528 973890 864839 8470 54063 217 6091 14110 430931 687969 685694 25395 2407 49692 1227231 20707 75219 226324 37577 581953 533448 11851 7294 148790 368357 51126 57328 6867 C18:1 LPC plasmalogen-B 24702 5938 17053 58143 23831 191232 2011 237683 127444 2420 102330 30014 83530 8330 573505 205676 17899 61124 2006 180135 7627 423571 22866 81094 48163 256337 554404 66752 202599 264396 4179 134669 2766 289759 48847 9325 57358 208283 838 11038 167035 8015 2805 50707 65455 259680 941 1826110 97236 141104 490850 35460 2250 525601 20595 6479 252804 33740 901332 3953 1221237 10886 13858 170171 748 15859 303409 192170 39218 13243 476333 1542 493421 347032 13524 42919 409551 75827 419 2234604 32298 773709 38909 616224 1223 484 420145 106174 46888 10732 35770 20597 49006 218249 177272 389303 137410 2847 289 46548 3216 33141 880547 127121 166849 689888 220 394143 760 46445 26803 22278 16013 4618 26813 11335 361030 139725 720148 75134 16622 499064 113734 607 210119 686531 111067 10824 24817 1171 18161 101676 160378 8546 184685 21410 130000 188512 317845 213893 4203 339 1024161 1161570 40685 271166 5512 276 35857 12537 76405 793 377375 447727 1125 493601 67644 9116 50857 751683 10442 75270 166035 82580 480522 385155 62779 13604 205525 605 217995 30340 179755 5182 C16:0 LPE 1040897 2535384 899422 748909 525486 503404 122758 310108 4575953 122918 224592 3116781 2739748 2384561 2380284 2840946 3996697 3062597 588307 1484175 763866 1324619 1226459 1536655 999544 425526 265623 181538 450786 2403980 549077 242758 456640 2239339 421655 263236 715829 3040831 944082 875197 1695410 1206563 563832 3206822 1153517 3798214 2356291 1865052 368382 7704455 459529 5735357 12031666 1757593 4749205 6619634 720985 4848756 211942 1578498 718152 5658964 1020307 1571609 2602795 9023342 3313378 778977 1121367 5724854 33188 1918097 1754698 1040492 475391 1732085 69086 1224306 127641 945810 278864 832714 1461907 1060172 1053701 748782 1353359 852643 1745056 576202 660172 2056595 2416763 1518313 3313677 702504 1428422 1314990 520771 198912 1196994 258185 747849 663583 188086 306923 1256301 347262 268699 401943 153183 318527 3321081 91055 1318789 4432480 883836 4483279 1705518 896930 2151475 428063 284596 3604896 949370 1449817 1145383 1012773 783044 774196 1078621 1256433 558301 89056 473856 42126 229723 61847 141487 490957 379379 346710 677882 304780 721597 895531 1766867 201714 2897395 1277678 349119 603065 381407 2267819 1417807 434235 1148344 1170541 1487683 1238204 1633617 8780004 51107 237237 1546673 439719 968057 49668 2839685 1614582 1039549 1239804 2650925 895623 798372 3212977 2733719 133829 402604 3019082 653788 2303521 715872 1373184 2368214 196163 574859 3159356 1234692 365610 4736333 2529315 C18:3 LPE 88196 89503 69910 54851 36389 37141 23034 17287 285616 5742 22972 224216 147249 122694 117253 136640 270048 172178 43940 98687 25806 87518 56886 100900 64447 25853 19702 6501 31106 151727 34752 10198 20125 137443 26895 13615 52272 240598 61891 68222 147888 54418 30054 240321 79898 281211 117037 140753 22155 707497 24299 571911 1174152 119637 301599 356751 49772 297692 11933 60934 48994 505454 74819 132175 211272 918457 228616 44250 71510 458700 285 125192 172597 58705 31764 162732 3333 106902 5180 52182 16723 56654 109194 109379 82925 45152 89635 42210 109311 31330 39968 131836 114810 92851 186199 48153 98794 72908 33465 7266 80384 12634 43001 39593 1891 11948 78368 19959 12786 24297 4935 20085 253179 2450 103412 308929 58301 301707 92529 52901 151640 21413 17458 213216 56556 80067 66327 61543 63644 46655 69516 57072 36699 2930 26204 594 12127 1632 1046 27024 23471 17867 43577 13120 61215 57730 108356 11872 266983 71293 17808 39732 21107 162741 100094 26694 59999 57361 100971 82188 84014 579518 6 12459 98997 19596 61677 313 140675 72844 70847 65311 172907 50096 47000 210063 177219 9141 33748 164524 45395 151008 40673 102387 143258 5039 50147 202511 69189 25277 297187 180036 C18:2 LPE 35 5514 24 1696 1827 272 4759 104 9578 325 2614 5826 1090 36636 480 64488 10678 781 81251 1690 20650 2433 15951 2442 4444 3530 1054 1109 1074 21501 31600 5554 578 14724 471 956 691 1007 906 10654 788 2086 195 265046 86204 12169597 107631 137812 4226 10868 14046 23017 26389 6258 22283 9943 52911 20884 20665 60017 16429 37317 7087 15260 38365 56474 22140 606 594242 3885496 92 13351 2118 2813 19006 1986 9008 716 2944 10799 14067 14156 201 22426 545 3734 18013 2394 780 1796 1713 6919 24810 15756 7208 1035 1085 373 388 3973 668 1251 851 5304 558 67421 2096 2317 14016 9709 33945 77 16551 30 2276 32844 66969 16477 44009 1070 95003 3159 1318 34530 2553 5392 48872 1031 5374 26126 38230 10787 1792 14884 28956 137 10962 987 24 2666 30376 2996 8515 735 69 678 152679 10922 969890 119 14170 41309 3319 42249 13555 5162 477 18313 4445 616 338 10710 526 28563 596 12054 23404 431 11394 538 5961 2464 9118 91487 11260 5029 9406 788 80 8461 951 2645 765 2591 5237 12935 882 25673 2460 127 5571 2838 C18:1 LPE 32754 44411 8259 58426 44809 74219 44597 76136 119152 33705 123870 107524 66384 199353 92249 282583 289919 173669 134203 62634 81677 154752 145215 151257 82048 40252 19056 32967 72545 673671 143336 180954 120188 111316 49603 22174 115687 165652 84579 131411 192725 99349 11180 2399583 175324 2462568 66359 59197 73775 156347 84521 416256 295419 156093 503346 338809 110601 425894 37267 54414 89674 335878 131176 394664 111493 707081 168239 169107 453076 270493 3518 475120 23482 134331 76392 64629 27973 40885 35018 357203 39155 26329 47081 379002 47383 45679 620229 53768 71123 106537 228806 384618 283651 215527 622470 226260 32425 123889 31778 67153 40073 27416 120853 115066 143102 83575 246226 81012 74393 88425 61152 87683 765163 24983 56049 769043 165729 378244 243931 118014 234706 62614 114749 206215 144165 114232 640223 76947 83515 293951 131084 254181 68658 114361 150544 2851 150297 21946 11931 34600 82897 58071 50173 26777 16474 60133 196812 82774 297669 5474 98560 150631 93081 435302 224606 77931 61341 57093 408938 220640 54643 394491 85499 80444 151750 106831 201347 138448 205959 197629 614644 182558 782353 293263 118963 235363 443800 17988 75769 128370 64793 197823 151688 250581 160319 93185 117667 108522 230578 58576 137746 22277 C18:0 LPE-A 186824 73375 208668 92935 45709 1230877 124318 940268 60404 832642 258766 83186 358091 52647 260191 90526 835116 446421 420909 483426 47571 1257641 48986 1985840 474565 56618 228291 211353 664935 3634672 487591 1193171 2822003 79783 906832 32978 1990345 422610 82670 419794 715852 73756 367058 4734342 53274 681041 310375 474026 45406 924714 27662 1237079 395980 500208 941238 442898 107845 1656029 41791 446262 78061 1814616 198145 3609110 38319 5599436 116143 55565 169071 237416 176443 1052603 430702 205813 123467 725388 32707 821376 18439 2470415 25254 99425 190787 2954554 545864 33844 3860253 224314 70325 1997548 96744 2594799 107215 50747 2421909 328220 148813 55349 230796 50749 319595 16703 1190553 43411 1278273 1427065 1422069 72606 26748 250821 57950 303949 3424510 351858 717877 2818943 69236 1605137 78418 169033 138724 116591 167608 79392 260611 112543 1623965 592905 1047486 185053 119967 2241070 338937 39368 35347 197824 1287206 360475 117653 67535 137110 48658 122544 103658 348844 861958 70249 760415 351313 104018 7262 564815 18144 859003 1020751 481583 268984 67916 2131963 2585341 231954 624449 72949 76878 119988 45404 111478 174764 70053 1454401 2393953 63540 1659547 249765 92170 502438 1252137 536171 698075 40338 666485 242106 2836062 885780 81751 90637 713277 42725 1033589 298162 503681 43636 C18:0 LPE-B 165255 10747 11772 11899 4810 46838 322144 676 511816 160288 2967 82161 10627 47275 8735 188489 53042 162105 151832 28243 433834 7062 250745 43946 22459 37059 76484 110914 495423 72186 1301808 261338 221 170250 802 173544 30983 7270 317561 540208 1789 7240 197149 16558 216003 111244 120677 1754 108727 2327 620951 140009 159345 273082 93925 27617 256142 1805 50693 19956 609331 6001 1356381 18269 422463 21031 2944 283336 7965 516973 18140 17280 153236 3676 8383 5808 211071 41446 35643 24541 544456 310857 5054 662074 66099 14339 653374 14883 1402820 5985 5895 1093118 115836 20914 14444 26220 1587 46260 9050 124435 6072 418853 600862 429187 9788 6388 40681 5368 4531 457750 131120 191163 944026 14880 304954 43659 17896 20712 22766 32181 7388 49482 6885 1149224 390794 828120 187748 309980 1025244 153101 19971 14994 24444 537979 163110 867 8691 9974 34051 8240 102961 17522 187228 19138 6796 13175 56812 15115 66301 291357 119608 5821 6287 374643 247907 10898 4424 52463 2905 37283 536246 622264 11194 425044 58194 20990 340790 657291 62722 43063 6433 472235 94895 561733 614281 50416 39298 700429 18739 605404 154188 91074 7167 C20:4 LPE 299 1522 25 2014 1971 5346 1504 2486 4487 1169 7426 5024 4008 11147 1753 13821 21557 9200 7394 4110 1529 11080 7019 9932 5004 994 507 468 5202 55073 12572 11615 5281 5513 1959 128 6862 9519 2919 6936 10919 2235 207102 9587 125137 404 929 3438 9109 2623 36041 19712 11233 37590 18055 4463 21866 1119 42 5481 62079 10555 48490 9343 141036 9406 9067 39968 25002 54191 274 14058 6818 6327 4622 3502 395 42297 2258 1637 1662 77994 2132 1716 58687 1317 2837 7225 16971 28635 14596 13791 54690 18355 565 8263 1300 2391 903 738 8805 8024 6266 5356 21784 2971 1693 2965 4709 2985 48110 5 2065 51150 5937 23904 8826 4194 10293 2771 4843 6239 5574 2469 53604 2625 6415 11510 2779 9392 3806 7540 11054 10739 507 1677 1555 1244 1900 7 6245 12113 9172 24632 327 6194 16059 5306 106196 19871 6060 1795 1509 26827 12955 735 20651 3582 1246 8450 4439 9152 7999 7152 9656 50753 8752 56669 19218 7621 20399 39287 22 2068 5476 3295 11395 7750 16365 8051 2767 8800 3889 20763 2465 7266 1025 C20:1 LPE 10614 18541 1404 1098 13349 6343 10174 68135 18914 4811 90795 200152 10772 2786 34002 37840 34067 26130 1366 1380 174 39892 1897 40056 1152 22443 7110940 18749564 5244486 1023406 3318646 141501 449424 3989334 1062777 7973163 6533434 9000837 10587093 201628 3320536 3049029 1947448 265 6084079 43757 11324038 202580 2060199 76465 7408333 955790 2161749 9197142 3030 57286 4177 9 1436 13624 9656 1118 2 29791 6370 1047 28286 48201 22156 3759 40014 489 442 34188 492 41301 41544 42464 66904 2247 C20:0 LPE 427550 27183 118858 7622 262 251702 54531 1119459 6228 1739839 584868 10271 239513 11671 221547 20894 659073 235322 378293 552137 10207 1543688 1315 1093149 42554 9630 124031 62106 434779 1699421 176702 2396466 976068 2021 539769 843573 153850 3386 809055 1648228 620 99010 769189 22639 124041 382246 446836 236 403187 1132 2271779 309698 414289 1032970 351858 14292 1059789 378623 12854 1624950 18125 3917702 13082 1788256 62570 10076 68599 313504 95210 1490962 165173 46676 21032 897128 2033 357471 1851 976252 141737 176665 2928841 678376 2965 2688692 223209 2561 1657932 85545 3669743 7557 1751 2240124 438556 139451 104629 48968 12110 171345 189 621523 1354578 1987880 1033549 3330 661 166197 3565 167211 1360109 475518 509687 2123838 23844 920157 9609 53443 27789 171670 132137 2127 129058 71676 2006181 840188 1760924 122770 71440 2696743 396841 2694 1493 120028 1467194 439239 34361 219 11805 7742 7605 120991 96629 385269 35490 649744 56086 42956 270669 474030 847354 376549 49573 2515 1506474 986040 37320 93144 12566 6954 10683 2462 55215 44585 4801 1501413 2083477 1194 1192428 86368 20818 701269 2182940 173002 152703 490 1153038 300911 1889486 1761634 50155 54876 1615640 31675 1492674 419861 275303 12025 C30:0 PC 349256 22601 230994 445 25439 767579 69408 1389234 5668 2596055 896443 16053 235728 20287 704796 13339 538964 674291 652496 936795 8701 2966279 5417 1305502 326654 123330 339891 41640 3061195 812472 232805 1530484 2455907 2280 1010662 1332220 240327 15607 858010 1803510 460 145889 618266 31255 3710 226793 363178 599555 4770 870323 489852 774201 862574 783830 8850 1022513 1835 538222 6831 2446219 4574 4035874 5024 774313 219588 17224 14704 9118 701514 875361 535625 107821 106361 1531206 17135 1028871 5648 2799717 464 110837 316988 791660 2166197 5194 2251706 371719 14813 3472969 76424 1879788 2532 712 3950915 401447 120855 18299 36331 6629 707995 7248 1315253 4992 1523230 1721462 1688951 5547 2262 257678 12001 164253 2433345 1145570 1019841 3343699 18350 966265 21483 114192 64460 278863 307403 5061 144368 137351 1880047 913378 2216911 910629 1123677 4685818 748508 11663 7375 226938 2292398 3159727 182689 23253 16568 37102 58584 946865 366950 789839 15356 916830 22621 24476 290 313437 149929 1098501 1432409 11241 238 2121983 3437130 222978 12889 28064 4483 21865 1354 40814 142277 527 1437154 1433957 1007 831660 31051 162766 767071 677658 448931 1041070 1846802 127626 7586315 775303 47932 118664 2213108 18420 1742243 435401 376591 17558 C34:3 PC 185159 6033 213043 3543 13059 486046 101725 742519 16603 1350145 754241 71414 150871 22034 382274 21929 318424 267329 722019 365987 12710 1406663 13417 504999 92505 25410 812352 106163 4544197 1880404 266859 1930595 2450772 11418 590859 219 1137525 135130 23514 1329190 2195341 1684 114979 445295 24138 333998 193613 259766 75601 225471 13704 590975 186870 808363 1924728 514121 68488 2211648 998 413108 67506 3743822 32038 4244651 24100 721016 366409 31961 59649 10950 366939 422728 452364 164674 44081 1980728 32346 1095527 41039 1773961 198654 181794 493686 685137 1397760 35150 1840937 271447 15696 2226395 105097 1272236 5006 1939672 465324 82588 6176 13203 17884 468484 25893 822827 9257 826614 711750 1087345 29741 6284 261658 23266 80500 1492116 893789 894219 2740989 26024 697513 26447 243416 55643 287686 657705 3268 138757 101346 776585 492166 1209095 293383 139083 3077171 513795 29264 11157 126227 1968987 1923846 187726 7308 51822 31530 20265 773973 442803 985315 29204 828636 157960 8165 461729 757 92411 832116 455706 2741 6616 1498686 1647821 94164 65759 34456 133009 45070 33279 239852 618474 3041 558710 1734981 4504 1443800 99697 159720 1340426 615540 334002 727095 50630 1264330 280345 4604714 752945 33624 127280 3052955 150771 1486799 525284 1010404 15703 C36:2 PC 58885 54691 17141 27045 228916 3126 166665 62684 189732 112935 150433 81480 23853 163877 73686 475352 584970 735823 175690 189176 369886 41417 507524 117799 96672 55292 59555 910831 937534 170513 854981 282969 55996 345298 38917 540938 56279 62248 334782 386404 10277 19647 701814 102877 15286282 47682 102015 79133 102790 104043 274716 323320 546917 487527 144883 945249 712626 29461 278184 182500 456281 201584 2483153 37575 319937 86821 11970 267007 11119 67408 186870 96779 81257 854793 174775 428335 141940 135310 537689 295245 21671 111505 232234 676677 46764 2593186 101892 32745 694628 53001 554950 138389 19354 804210 128369 63387 28625 30931 198551 308908 187308 558733 144425 517005 239768 767065 397570 73805 72152 574845 85579 939352 451113 451654 1327273 1051612 1174667 150865 238695 82124 124422 73138 70754 85332 55091 965748 429878 1490627 639159 381977 1098128 564065 448084 90930 47788 2147819 777297 55468 10875 132489 16219 210506 94566 123888 1069971 67582 2108156 809644 16140 37964 158549 32062 295728 1063005 679997 71896 1589661 907488 47810 151626 14917 1047085 15898 211441 24882 31650 80948 219574 678894 63648 534204 45422 131606 497486 721618 116480 356602 40905 412219 32186 1096100 656610 32763 70918 438973 569580 279782 211737 57672 12532 C34:3 PC plasmalogen 587 1345 1890 1020 7127 14855 1550 704 473 6400 37 6949 55231 658 8627 636 528 3382 10042 209 4190 1110 493 1239 4959 22 798 1137 516 16086 1790 2492 404 27310 973 49710 4227 875 17372 829 328885 1279 30470 3311 266 2373 380 91788 4971 5592 14028 2029 12418 805 91000 25971 5965 36322 58116 6925 349 36681 150749 10763 3905 921 100616 100 15273 4299 7238 12924 6238 289 26057 42 2518 4 14204 46434 58756 209 163122 76534 76263 2802 362 7451 625 25069 430 2520 79550 1644 22740 36219 61787 3952 4719 2542 431 743 1942 C36:5 PC plasmalogen 392 141 15048 17850 5686 2589 47372 905 680 26109 38375 59045 2714 5291 7346 515 350 386 300 1956 874 1875 8608 16402 8754 446428 49453 359 1310 4938 439 8567 18121 376 7507 1053 23885 18695 10754 399 34074 431 858 42880 13304 1126 3520 8836 5120 649 763 12923 29400 435 6800 39006 70134 127116 136528 608 17214 5533 10208 51745 23847 21072 17709 33876 2447 1075 396 960 1879 C34:2 PE 7347 32014 37106 137128 941733 1463 271641 25530 2638643 51266 12246 85576 72655 295787 357678 1608 21936 192535 23522 191153 48707 128421 29744 22949 132129 69423 23148 150442 4397 13048 2060 207767 209943 85331 352819 649466 249674 351239 701523 25745 273187 42641 770246 1470 1711859 18000 98574 323548 704324 509408 975403 58995 565581 216585 495676 86224 31658 209190 31762 12312 51740 11480 20212 60108 324 41464 380219 62358 2579 105660 88606 992751 3911 84553 117499 223229 846213 101772 68674 265835 39305 48935 283250 536338 964693 691755 80321 36571 633 9571 73582 478485 514080 71792 434486 16149 30720 535015 99577 21977 243762 67890 349656 286647 250630 403623 264950 17647 577565 25025 3720 124878 14273 51758 146191 112252 737954 68927 104662 1062 99063 574400 88536 48483 12688 174601 24424 1067 89333 4034 336134 34555 17428 47883 290292 230297 143800 10857 2003609 97888 59049 221067 472206 953 426408 25119 612335 42190 311482 10811 54754 338587 12045 27376 1204804 261763 32613 66370 13239 712594 213451 41454 77661 28220 1041554 48681 102514 85625 132349 69832 398296 1441159 C34:0 PE 60564 40955 31 20443 133830 13297 323577 689085 230753 709 55757 4493 178974 1705 142959 155976 122464 228706 437 653173 711 308326 190858 116189 69719 7751 545621 264210 47925 276284 253980 1 281974 201844 22900 1612 155052 426024 14511 108422 4062 43489 40898 4 79087 534 223017 142788 161402 203529 93432 993 198519 55443 725 487649 2315 1210286 299 222575 59123 2457 1003 125920 148447 89522 12611 468773 355302 52853 240883 858 412196 361 18921 77702 164458 307834 629 486431 57084 1317 583306 14137 424097 4 593188 110949 43494 5390 401 162403 996 263805 601 238571 274225 406444 2631 1962 27225 6129 13911 301640 126410 211354 744876 22146 239895 19772 16601 14318 47056 42559 237 30439 26673 405234 233620 495055 2417022 2124258 893250 137087 2277 261 44592 451657 410945 20313 21035 1070 1399 64702 168641 45638 127381 1165 165950 1444 73214 22522 221556 140787 2 570 196187 237071 26171 6967 1498 1452 1127 585 1892 16185 6 201397 368656 179861 2645 37054 206443 353083 89614 274051 460999 20287 1322208 234501 7532 12192 561680 296 376711 108856 89023 1088 C36:4 PE 50715 9858 79909 5801 434 17242 34000 116757 4730 2490 10864 13502 103765 136869 101998 40755 14395 20286 96461 34710 6118 2159 15335 14371 1143 23572 2408 638 69970 17693 5411 143870 32057 1097682 111579 1150026 226217 20894 75558 100338 816370 21900 17424 133005 168552 437892 152766 46219 80532 14288 33792 6837 118695 4125 798 5480 2473 1792 2748 53880 23186 57 25825 14817 97128 19721 19582 259801 242380 24534 43225 46843 26355 2837 44387 64583 51409 101157 10166 206505 1671 4257 11634 130459 38464 7170 46957 4956 67878 13345 2458 183318 30730 111795 136810 66307 272594 37129 3761 105413 104012 17980 41273 38151 6982 77391 320996 164900 15038 42157 9149 28428 3603 9250 8532 45942 3824 7597 6205 92425 598 2426 214628 86680 94686 558 159448 10912 4470 47522 218302 208782 62367 2433 21593 1037 3527 35767 879 184463 91097 69615 22074 30107 30353 267310 85083 48552 11298 48097 25724 23736 13107 11463 34893 82887 C36:2 PE 471 4823 51762 214527 6225 10702 4936 25521 159552 140792 28955 3014 184287 17857 70154 552834 1496 5005 71506 26460 73787 29561 71422 57052 6785 85357 112176 7783 16629 3288 12768 90549 68941 202655 80430 57136 191693 77802 616061 9694 68534 352532 3091 1131464 18877 249474 417500 112974 255692 172690 138653 17038 25726 106429 67695 206563 19105 33372 62835 24735 85073 26679 217315 99024 20098 164226 133681 594514 22756 78173 76782 195850 93758 68606 152962 75655 106072 534919 128072 203344 885480 158537 36424 1465 9112 112096 278465 144863 123670 250504 49156 327186 23686 4158 81438 57263 47609 131667 43035 56951 38186 14678 40602 77832 19417 53669 11243 24574 160392 31849 5361 129334 127789 51925 36495 107990 845 7230 37917 2968 14027 20908 65850 59026 24615 35253 200393 170233 158248 471458 242245 21355 162194 28210 123623 44891 18306 48398 13296 32327 33249 64095 8742 70614 214666 22655 18800 19819 12031 27797 43871 35627 30841 5459 62293 10810 85869 13282 C34:3 PE plasmalogen 2394 3253 17954 2431 10270 2678 4845 2530 2260 2784 8813 4649 18383 10966 13528 32374 11709 40746 44977 4806 14346 2788 25210 18358 25569 5081 41205 36342 65100 64794 196317 40461 5989 76225 1683 1045 65644 9564 37083 207314 194458 223 149108 348812 65846 12890 69046 33929 34254 83138 28114 93490 6145 15192 19451 71870 14083 210888 303 48135 2357 56163 47092 29640 208948 45466 101838 193031 13198 3365 8595 7580 21254 88259 123087 15701 34729 19480 10301 477728 82846 222876 18442 16887 233118 249646 27172 417218 709 1099 2558 2892 2769 1452 2712 202739 6079 2279 7252 824430 37119 28450 9843 79424 11994 38318 55561 21749 128522 10980 7608 245182 24507 79913 31755 3308 3129 9724 7890 4153 51369 818 1159 5031 4118 4307 1667 C34:2 PE plasmalogen 292 521 3250 3091 76198 42887 38531 3420 22500 164607 54422 14852 821 2451 7151 84074 27032 6935 7351 14903 2880 20926 25827 101942 29731 22847 1505 104868 8192 11407 18413 1275 1149 25567 2763 28166 42580 27032 13169 88484 45581 11092 6819 465 14234 1272 31902 26908 2897 20473 9813 34829 34819 70953 1600 42282 24417 6866 26756 75106 8901 10325 4517 86354 1521 11371 3360 57937 107772 115559 2126 126990 15588 202231 52169 4551 29428 53703 170977 25112 54178 41618 23553 22071 17027 20245 20897 33258 14791 307 1005 119725 11342 37126 20907 39473 20239 247643 139788 47477 34718 181477 1299 73316 2348 4462 74931 8681 201017 22579 35684 88358 109998 552 37533 59381 1437 26074 4771 2468 739909 94606 6334 127 96952 7112 2673 28372 32941 76570 41668 74479 7392 1519 5737 2849 6899 7909 1101 90 13452 3033 67392 69529 37376 3564 215444 549854 211654 349503 82169 110283 56278 30632 46386 128475 98544 2241 499 153210 42459 154442 14225 14218 19640 196228 4086 25033 12742 45427 40909 27031 47410 16587 25850 7564 7446 15404 28109 15309 C36:5 PE plasmalogen 1501 2090 4588 15011 6785 3771 4395 6027 6016 1650 78598 979 7153 6285 1499 8105 358 1474 2510 4197 3652 4557 2252 2381 3550 9748 53066 5909 14154 13943 4784 51790 2732 1951 63774 828 19060 726 342 907 1673 66148 12052 689 13 21131 47211 4260 144937 10469 19947 20577 1867 12411 4004 1210 922 996 3336 130411 1684 97917 285 1367 24681 1282 7752 8213 16782 12854 20987 7891 79008 90058 18557 5296 17090 3481 827 3541 314 21854 2213 103105 728 5517 285 2381 38 1675 1118 13 3357 1020 99 15 C36:3 PE plasmalogen 2774 11695 2262 2551 7854 9035 2755 3021 4909 2242 6015 23759 10410 5448 14241 2894 911 73201 4048 1200 18897 798 3784 6315081 2730683 2093729 9784 3008003 220 2521709 622102 1328221 2936 4084188 440240 570947 884712 271118 380367 1380014 322286 6192443 9963257 12394105 43772860 1060819 149322 2183952 1859683 7326406 2167815 620597 5573262 984943 2625594 496421 633565 90151 2024428 20 2690 155840 31707 2669 17809 4892 9756 176830 29457 2564 164512 21270 40320 336 20428 5640 4782 60902 11213 16936 11590 20887 11527 9315 460076 54065 178448 779 5162 117125 102738 1307 220218 3756 594 3372 721 2113 797 25955 1301 36724 24080 17701 1 55465 60223 52268 9819 45685 6616 30856 1892 24686 12414 7948 97 45254 14399 68613 1672 1526 2982 38465 22 2152 391 9074 15490 4684 15175 2096 13020 3782 639 961 1785 C38:5 PE plasmalogen 21 17962 5757 6706 15032 6592 47230 13836 6735 7774 8262 3043 301706 628 88126 24472 25272 7605 862 1543 4738 5130 413 5755 12551 406 450 768 7609 11201 7468 53823 393 890 37623 6514 110953 10840 124469 60139 33 3701 16462 57987 16576 1407 724 506 59513 2413 141857 45269 57340 11033 1439 15056 835 3704 32856 141403 109069 281 1317 21115 8158 5636 1164 786 352 34466 25350 26104 67728 6933 92481 132266 306 10591 1186 17213 6021 611 5255 38347 3132 142240 377 1194 10173 18036 11705 6727 30747 22494 157 10876 3572 10526 918 C14:0 SM 684 4189 158455 8775 37441 5431 3612 3182 4322 473 3870 16565 1001 37497 7342 3882 19255 5601 55511 43725 2442 21585 5079 13654 19021 6786 161790 22475 129462 2810 9783 5683 247306 39134 8079 259122 9508 234 116578 12230 33482 6528 1344 48091 10925 307 61661 5964 85109 2449 69321 4488 4038 76877 651 589 38702 30231 54013 41154 15259 453 53626 4298 139970 885 29483 115844 3949 128317 10563 275 29149 12266 102712 488 67762 38991 2499 505 1634 82695 402 24706 23643 32662 2167 3369 17208 11825 43580 14831 18490 35122 109411 217 1376 4395 5180 2298 13881 11375 9974 6380 31469 14647 24852 58607 1071 1892 11518 12728 13175 26261 2320 1294 803 2455 43371 12407 4525 7414 663 42033 77023 68593 58509 14709 103153 151275 1979 1397 8435 1286 3261 12015 5472 37193 53933 71669 118821 25803 32322 63121 14244 151296 7144 1764 41015 18891 19795 8029 1832 13032 2280 2791 C16:1 SM 1532 6330 2591 31794 13651 23148 1502 35867 2061 30235 1719 114 23145 11953 3202 1703 4058 3470 183 10661 4232 5340 955 3217 5423 4202 1754 11112 259 7885 949 8639 12619 586 7020 17470 11655 8076 1133 20112 1656 1344 2172 1656 5341 9890 274 1139 14114 656 298 4291 9207 1165 14226 1066 540 1106 896 13924 8040 20046 2021 15295 17596 5792 5643 14225 26470 1365 1227 7220 1469 6931 9014 12005 C16:0 SM 57189 103476 41193 187062 29177 666282 183614 482863 40058 181015 95912 138556 255547 231546 132484 184164 482703 184711 284785 152724 148143 351674 120711 500083 689360 44999 167056 610869 416061 291744 239565 173685 746575 39268 333949 30044 571049 11964 139333 137583 188412 23684 121778 953068 519973 53758 108332 1348339 68346 144376 46891 1303380 230539 285546 420785 81232 105826 791352 29022 162682 47515 725578 253356 1046080 150128 877604 338969 144693 969975 69027 88096 216597 427323 689139 741477 334145 139053 1097435 137847 804080 2023 74551 392866 832062 241332 37536 2317749 319557 54826 367188 424786 1466344 36652 244263 947473 983036 204616 7 6225 115348 149750 35403 1107029 25869 258862 286897 457843 186927 148144 353413 275932 69992 1008687 397570 503851 681671 10819 1310170 31470 162204 188833 153692 36473 230283 316264 37756 117394 279360 110474 591864 287935 490347 582536 97777 81499 168335 309856 413964 209963 21185 337152 91903 58828 89779 138607 315043 320222 87574 187707 8037 10450 568207 10181 1058871 688285 441067 145841 659029 920396 1124555 132484 167332 156091 76300 214062 27739 272236 184128 159065 98492 490711 79207 929705 846661 550428 358731 979050 510890 1671060 9076 304998 72665 771775 385097 456199 286334 210616 17511 113290 127703 370215 179547 C18:0 SM 1332 48310 1316 362864 25939 221348 500 14085 30922 126399 10953 3247 94923 21164 17921 3240 298494 382 2302 116027 55257 4469 173982 1360 31893 1197 113256 11498 13635 3972 261616 21322 13997 262040 17612 984 791 4533 2567 48472 8106 535 15551 37953 1782 27580 332 302655 3092 281210 67804 179930 5566 6878 83901 346 103370 130831 151973 7216 7058 58594 2604 218827 2219 48516 147845 4313 15194 43323 1562 56111 26876 8289 32273 22350 73805 7249 4715 386 13524 2732 9245 1611 6348 64923 5239 319 40814 11346 16313 7503 13851 18353 2214 69975 72825 1140 7002 39545 21430 14062 59827 2558 25697 25176 70022 7927 4798 12525 8920 63143 60849 49500 43924 184299 8476 40048 6875 229618 6208 1442 142172 2414 434 2365 7239 1948 66556 255451 73180 148836 149290 74966 1527185 1853 35705 179589 43075 41215 2640 112538 C20:0 SM 1195 4181 207077 17956 106890 1743 4735 4542 4997 51537 4778 9682 1412 79095 619 38126 17404 2265 33846 5486 83228 12723 60811 293 8367 10529 160600 33869 12463 183748 3082 14251 12555 24627 11789 1376 29343 16197 113074 80563 37157 68537 871 355 57843 290 4717 4267 42200 53801 56708 2824 16170 119403 358 20983 55663 1023 17744 16439 1718 9559 27169 261 3729 31621 16455 6149 1868 12000 6434 21370 2100 34080 279 16046 5294 1757 13338 15301 5975 1284 3940 46860 5006 38418 565 14099 1510 17141 24151 4279 35980 50962 5675 286 6903 316 3593 48126 512 5812 23963 110233 4806 50833 574 29148 5406 22588 1270 949 3139 697 1264 955 9219 53110 97431 19925 88005 69770 101768 723159 32414 1238 3548 1474 2420 3131 C22:1 SM 658 89397 779 65258 3150 1471 2157 8874 3187 46665 747 26983 21135 38532 46786 22112 2928 7428 3423 188091 3816 119616 447 1136 1464 180446 3844 993 101048 1054 11462 3900 16623 2369 1229 198 16200 2159 72344 61547 2696 34282 289 20767 12188 32792 20522 15299 3016 15186 1417 121458 11260 60572 30017 3782 19457 12418 36545 47490 15964 907 492 29512 22135 1929 8989 8238 9676 3804 29431 5002 15686 37040 968 601 4630 12395 9797 3031 5725 857 22722 18350 4962 19733 423 1131 1245 13937 1089 603 2161 37614 16617 50083 17980 32262 662 559 560 730 14679 18971 42606 66558 5508 32549 26105 23754 176954 2415 43436 500 3958 7100 C22:0 SM 815 7374 221680 6392 129944 5683 1046 8559 12847 8312 6177 50660 6946 3703 20694 381 8309 120152 1053 40244 34868 8090 28990 6065 74318 13383 110667 1719 24073 1417 15379 176216 60586 593 8714 215130 997 3714 179 19101 16811 20276 22940 306 2069 40454 25179 419 115823 394 83876 41427 56552 5370 370 80385 1998 12520 3337 35477 51263 113879 972 331 15695 2034 155668 27203 60118 5850 679 55906 21265 279 8574 4621 25903 5885 25802 12170 8126 2227 302 13354 9467 25442 333 2056 33690 1032 22664 4536 7304 28815 31132 3544 2006 638 11179 39282 384 5559 64740 2076 27134 6254 22067 28887 1823 3000 14720 77537 10652 13890 571 3862 67300 6116 16010 8275 120322 15596 71182 4478 23523 27083 56162 10856 18766 2415 120 4063 5523 23424 93615 88852 52391 99474 105083 153430 827377 9027 540 63607 4992 13308 2265 3755 2281 5472 5586 sphingosine A 8493555 48226114 6803895 8775852 2031483 6594423 13004257 6855314 3873389 7213482 2245812 1605798 13239040 13591602 6056908 2087011 14439122 8079231 13242696 30028700 6052546 11701986 2100055 12491758 7184672 2629059 2772976 46060994 3486449 2709979 17783439 3394267 10096027 542238 2902368 130577 6341168 9757202 727326 9485296 6967242 433373 20136510 14273919 2469401 631151 18268682 18416357 259224 6814552 1002900 4036492 3594841 6740302 2713796 5814839 2076427 3852054 2557693 8620796 811915 4840143 549855 3776273 11928960 2697089 2785988 26124820 67046332 3062967 3139259 18123259 6736884 10047745 3633146 11742883 382365 9264011 3497200 9604269 5312655 3302460 22459420 5309302 6890419 732145 11507598 19339354 306297 8492895 18744730 15056035 769811 13908542 8446100 12145004 6589939 22293006 15237964 10195608 8754508 272579 5986899 7063437 2479954 1079303 33014787 7901169 12999253 1950637 5834268 4745323 4075289 269927 4316431 113659 4485563 1125621 6029152 3339797 903176 3964508 4927760 3406300 4332201 10701039 1383327 1913547 7807741 8397232 389393 8330640 5000457 7234083 18158466 20516791 32584719 21277385 9141953 8391731 7991699 5506733 2073042 4737754 4666006 16769887 3828389 8788416 449847 3243382 5735257 9954646 39777841 2370626 4660630 4221019 6476271 10092107 34827464 29217427 15470148 4644279 12039112 6462963 10799817 775478 9997622 46942626 5365465 20397876 7431519 9302044 8619595 1632779 5815705 7037396 5622572 2216850 26678816 6271565 3465062 2126477 4551159 2742093 4601174 1733190 sphingosine B 3958472 35765420 2892341 5333689 1411296 3001724 11410099 3895882 1190535 4175427 2060345 628935 7523921 8407117 3558026 1292083 7457962 4282387 8568070 16718640 3756394 7880866 1453269 9723886 2803516 1000485 1951811 34626630 2751616 1458429 9872129 1753729 5178472 347619 2156707 108113 4293895 9636403 488251 5412515 4500925 263341 17042567 8866228 1784043 589027 12256863 11000411 261349 5147937 429019 4430698 3341944 4894913 1469381 3920450 1542782 2212413 1311570 5490628 401526 3170553 441273 2393561 8639605 1903750 1853711 18966029 47493837 2339809 2081814 13808719 6313570 8937745 5929815 7588208 177081 6154584 2085673 5815903 3257451 2191107 16640858 3708151 3729823 549242 8810524 10124588 370328 7054061 18016206 9962106 596124 9212412 4877835 8214574 4970997 16747696 10961377 5639792 5684961 243987 6166186 5308031 2355227 218905 308823 31695709 1943871 9428999 1460312 4584578 2596678 2404493 258986 2648359 113386 3426044 982970 3340416 3196030 638509 2398902 3329633 2808565 2659926 9530943 864441 1422998 4773878 5696042 132266 399443 5081684 4897219 4705793 11266565 4284554 22426838 13484973 2746737 5784037 4860385 3413725 1479659 2748252 3118358 11180033 3236529 6701807 298718 2913551 2824864 5326330 30032783 1369391 2778596 2063805 2928731 4509867 22289842 20353577 113007 12158230 3201411 9777445 4062378 8369085 698687 6594351 34162234 3467511 13480177 5170030 4324331 3918128 1091407 3493431 5872398 3415017 2148903 21315824 4508625 2252582 1634536 3242006 1920669 2346765 1380888 sphingosine C 19969985 41563037 32149346 8315741 4222341 19752364 1519627 5609419 18933917 4042585 22903803 60710614 52207321 27654817 22588473 2226416 182081633 882611 208169927 880302 728816557 2552894 1680926 181965089 1083707 7772773 8133808 1308923 5839875 258140486 4791757 1030570 238174775 3513685 85777891 727178949 5758863 1811846 730483347 449975016 1748170 277158239 2666541 67992790 910093703 107541658 399504658 1417422675 3900130 1068271136 4164999 729388344 4634051 871316834 11655552 404786089 192798625 566239375 10264353 2299146 1836896 16056756 1053563 12315615 188495879 7842521 1453719 1373193 2048860 10816484 7379802 4014780 16284220 40344607 39080839 227061729 4552632 14234517 51884757 7590495 35503932 1131466 14740816 19889331 1523159 299214146 528393647 400774516 7127596 86072451 9059959 1787256 2375086 4990509 2286024 1578789 4554587 3939036 1184779 3629610 760986 2569235 1463832 68291176 312293456 7377791 113588258 18241678 78872978 13882647 86629917 48044468 4805364 71390460 113122134 184835707 597965449 1073820928 9243419 2628847 975503286 42434232 1233298 1721030 34087793 5968804 3347577 892074 3037675 1471149 680857 9036038 997679 309682729 105635614 6826429 88341394 32549314 191601698 2705862 1274319 364455600 548672714 907984168 3027908 20394811 845717 415948 1759393 427576 8805538 4086436 10202393 244285793 88899010 51419166 41649779 6073931 55245500 14421861 7742485 5181193 1214127 112775970 5899320 87964567 149359323 60776638 7768935 sphingosine D 113445064 75987605 230507362 61461170 17577441 498695401 193596473 469992780 219035868 260019182 171388763 100191870 138235674 91021479 550715097 129650451 299273340 774043496 105868111 412064335 15340629 400110939 8082853 369664526 25623086 11249107 147980813 181202603 148434934 359304720 130399287 244582810 491374475 31821405 151616881 28426872 572213711 876370049 110204003 106242672 186247885 15203777 594607605 798685460 45863228 9615554 396257334 527430422 18818914 834455785 17261859 491115291 480777808 217240570 92127851 640481876 70559290 357275972 20603969 236996654 37438206 974246762 45920155 706631573 77842004 195556978 37721695 135660606 146256617 100857113 147360274 440588675 431472864 180991710 12516711 220155549 12805458 193876907 124789030 651422651 152624783 110882025 82606921 705067607 113818915 15417370 161799573 100816165 13156041 470074685 252928128 873072275 29412292 288773764 729636216 156576573 315999667 334897435 381159070 24207579 402721015 21050874 399006981 21100257 745038011 319664291 371951361 23074044 31173637 136550056 18120420 183754060 296139808 165174014 191151698 255886037 46121771 165469507 116114823 59345263 65845472 166588586 308372111 18078999 104611796 180187212 553036269 140160026 391644372 11728779 22086828 500055281 105811724 14741361 22758844 319893505 246033613 400121123 46367875 93796211 68974375 46072909 134838176 88840199 621213899 763744012 69861947 273142201 31810104 403944244 24645261 175037034 7991172 604794570 414060271 327229028 378240549 25296598 373655685 687367008 659170716 219556807 380121600 10552854 11877030 8146264 72929503 160737558 222070262 653757706 447692679 105869929 446896339 190065841 212356778 322920482 113002490 598012835 595150609 94676931 223784831 161593880 545949140 82478467 81268458 53172165 207188994 28259749 564222602 173182229 24307682 32957122 phytosphingosine 3350160 1328617 1493447 194629 196321 1372570 2846523 1608335 222575 2128009 2505257 216126 1421486 1135884 2433230 3574984 1401825 1625509 2973982 2405137 52759 3697567 43383 4595778 170529 170877 1420007 3766215 2996147 4758461 2368685 1819212 3335656 163569 3253372 150330 2483208 2689508 209146 2722215 4130937 97267 3200005 1367496 624774 239463 3441915 3364219 206799 1325836 741858 1741828 3364158 3564793 1189612 1179500 246754 783375 365698 259648 298214 1980295 234982 4234545 1526419 1318162 2861365 3272413 3345580 812440 1465111 4234420 2397024 6357702 140755 3136266 93149 5088144 556816 1014009 506394 1040651 1416158 1324174 4794090 781922 2431689 4386711 218019 3749380 1505070 2608775 140909 439429 2072988 730920 2973693 1281307 5802412 169465 3125996 134030 3461160 103667 2667236 2680717 4486303 115454 304563 3585425 92786 2398529 2384567 2174789 1939241 2130133 238169 1187618 490436 3572111 435008 1695254 1118772 129790 1898894 1918555 2953469 3974534 6663772 141609 254597 3816214 3867223 74693 142210 3750124 4461059 2802210 205754 45562 3327105 522667 104653 1854082 1252825 1740179 1304937 4117067 963287 1542469 95995 2001821 75800 2664493 2524593 1765708 1738599 250131 4078210 4665237 2229183 644843 763609 143130 115055 177100 2219677 1099174 281750 2244830 2936775 230731 3167473 3651027 951102 2486475 1768797 1884584 1447175 301332 4220831 5461347 4608002 3847581 1048854 1987666 2419379 384421 2681983 3381501 805256 194721 sphinganine 12884706 2022230 6771056 2789106 1295646 2551851 953060 920538 14326461 632934 831210 10698465 32426265 3290474 971281 4030232 8073477 1520581 586014 41227231 412697 4969924 494971 3258157 934962 947116 462248 668375 706556 1357319 777806 567266 1510472 3345220 848716 2894903 1229567 1441735 2406472 615118 908094 763251 1466003 1711212 1420145 730100 2309153 1769956 1111394 1191307 754887 1742952 1990703 2424546 1956615 1780293 1694906 2992824 806229 3961761 1898836 1444903 2169846 1246636 531406 1650402 4027567 2442287 1211390 1754444 505745 1835144 1380926 1339654 862263 1040036 544418 3982224 11590059 1106765 18081346 847374 1668708 1213235 8336502 1070624 2814432 8558689 1775459 3023532 1958611 3212754 4185632 7622407 1388766 1263233 1254960 4630112 11737255 2382804 1004587 2016474 1237602 296154 1369703 603622 1091563 1435256 4492704 900193 360354 1073977 820195 798323 9757580 2496650 3111648 12059904 16469888 876115 2150860 4264574 769144 1336555 1050897 3006413 1013582 2255354 2707855 1277844 593565 1852498 1210997 814151 944220 1350929 1173542 1351951 238561 6625721 601621 319222 11653912 545050 1156812 1125212 2110999 1390093 888985 3838369 1677321 1403443 461844 1369233 1766633 5849967 1904949 2220645 1695344 1660829 1757811 6118958 979553 860716 135614 668168 549947 631403 10939512 1236886 1034024 8329818 1134728 825062 4122841 9071665 9915427 4050330 6179146 9678708 18136043 10577374 1389600 10559889 4264176 399976 5934527 1035283 1619731 699050 1807155 1468187 C16:0 ceramide (d18:1) 2167590 2178324 5726850 1787242 730470 15625610 1882902 11860368 3711289 3553397 1949813 3371546 8313854 2294508 11525984 3621051 8399626 20890729 1493095 9513935 424714 10565182 566328 7230917 1599067 1484450 1991586 3051898 5771287 7352789 2056083 4041021 15612529 1213160 4891122 1020082 13041056 11043079 1897473 1646357 3738919 576366 9623425 14767936 2974688 1030747 5541134 7710329 670718 17856899 1028438 15244878 9716461 5634871 4038083 13631288 1609393 11271317 959005 3314068 1157473 13674808 2385219 13943505 1684205 5730902 2431923 6814740 6306427 2875595 4330416 12730468 10182579 4367692 908441 4184680 967865 6470366 3613712 14796640 2416378 2296342 3007386 10539075 5099882 477504 8993468 2583286 677259 8539719 5385978 8376239 1228514 3748326 12524825 5879906 8608213 1824122 1341533 1980270 11075181 1579776 7831614 668490 13643012 6833689 5467555 2713985 1168716 1630499 922315 2248275 10298741 5783700 6600435 9251897 767495 6591685 1659387 1161669 1986333 2971172 6914611 887808 1883790 4958658 6405728 2104681 9797579 4577808 1638566 11555569 2719708 861597 590211 7116493 4715465 8027501 9009070 2972009 1813793 3466575 4181330 2696633 9703907 13002730 3265338 2932262 1512816 3743375 607042 3803579 310029 10136737 7535616 10189237 6510232 1317014 8676565 17913558 14212519 4272637 17803804 803257 8859518 743725 2667413 7869056 3060450 19973641 12719968 2260375 9424621 3172353 2258664 6138808 10463381 17439730 30063142 2152730 7094467 3801687 11235943 4052380 3538825 1077462 3653079 203073 4881960 2090640 3011799 613393 C24:1 ceramide (d18:1) 613528 734271 7660605 681059 125788 23916117 1514851 17150948 336631 4374925 887115 1011438 3062203 424006 12404853 578530 4459739 27971487 1091423 9949820 38332 11908673 87737 3578528 768207 215310 1399960 1338600 5528335 4673236 1184182 6379180 28100493 223076 4568618 188676 20877559 15168342 548801 832140 1551384 146846 11661082 31507732 880725 214162 6094687 6717574 157261 25684564 237858 17397754 6129417 3451214 1333458 15313943 679712 10813528 356998 950620 185574 24234171 481148 16554362 569623 3165602 784443 1873209 2589208 594415 5104290 14329813 16212063 1918382 155028 3935713 62670 3594987 719920 28167487 237763 1447210 996494 17614106 2397872 140260 3664172 937622 154109 8229155 2352150 4013738 180688 1149246 13674067 2421842 5165920 350394 189638 137204 11704058 94278 5982119 42763 22959879 10123512 2699715 274527 158637 903335 143336 597401 13419994 4353674 4911838 10608135 169734 3072602 199301 370699 297464 1175508 7114923 108357 541243 3084144 9915677 1012165 4489088 1237750 153172 13975186 1177725 84751 170638 3916655 3686645 14078854 5887500 663911 422525 1332301 828260 475321 12223339 16868596 852929 1521889 765908 1733337 100871 1690504 47654 7996673 9708087 15026418 3524465 403335 8464895 26307978 15480718 909738 15853100 43192 3016213 23185 300443 5362696 1021840 31881082 17816539 681216 8954886 2349587 876729 4304099 4744993 24596660 43403638 378312 6174344 2399467 21418258 1424552 945434 189884 3991526 6488 8364102 1722148 748585 120254 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Compound_ID MZ RT HMDB ID phenylalanine-d8 QI40617 174.1360 6.78 internal standard valine-d8 QI45478 126.1364 7.46 internal standard "1,7-dimethyluric acid" QI20313 197.0665 3.49 HMDB11103 1-methyladenosine QI47873 282.1186 7.75 HMDB03331 1-methylguanine QI30035 166.0719 5.29 HMDB03282 1-methylguanosine QI28671 298.1135 5.08 HMDB01563 1-methylhistamine QI57971 126.1025 9.90 HMDB00898 1-methylhistidine TF1 170.0919 10.70 HMDB00001 1-methylnicotinamide QI51643 137.0704 8.32 HMDB00699 2-aminoheptanoic acid QI40047 146.1170 6.69 HMDB94649 2-deoxyadenosine QI29467 252.1082 5.19 HMDB00101 2-deoxycytidine QI35100 228.0971 6.00 HMDB00014 3-(N-acetyl-L-cystein-S-yl) acetaminophen QI28085 313.0840 4.97 NA 3-hydroxyanthranilic acid QI6317 154.0494 1.80 HMDB01476 3-methoxytyramine QI38302 168.1014 6.41 HMDB00022 3-methylhistidine TF2 170.0920 10.10 HMDB00479 3-methylxanthine QI19524 167.0559 3.31 HMDB01886 4-acetamidobutanoate QI20301 146.0807 3.49 HMDB03681 4-guanidinobutanoic acid QI43210 146.0919 7.20 HMDB03464 4-pyridoxate QI26195 184.0600 4.71 HMDB00017 5-acetylamino-6-amino-3-methyluracil QI29892 199.0821 5.27 HMDB04400 5-alpha-cholestanol TF3 371.3660 1.71 HMDB00908 5-hydroxylysine QI56421 163.1073 9.41 HMDB00450 5-hydroxymethyl-4-methylurate QI20500 157.0604 3.52 HMDB00544 5-hydroxytryptophan TF4 221.0913 6.55 HMDB00472 5-methylcytidine QI35320 258.1076 6.03 HMDB00982 5-methylcytosine QI38852 126.0660 6.49 HMDB02894 "6,8-dihydroxypurine" QI23682 153.0402 4.23 HMDB01182 7-aminomethyl-7-carbaguanine TF5 180.0874 7.39 HMDB11690 7-methylguanine QI33299 166.0718 5.77 HMDB00897 7-methylxanthine QI22149 167.0559 3.91 HMDB01991 acetaminophen QI9372 152.0701 1.97 HMDB01859 acetylcholine QI48304 146.1170 7.81 HMDB00895 acetyl-galactosamine QI30333 222.0965 5.34 HMDB00853 adenosine QI28262 268.1031 5.01 HMDB00050 ADMA TF6 203.1497 9.94 HMDB01539 agmatine QI56278 131.1289 9.36 HMDB01432 ala-ala QI48880 161.0916 7.91 HMDB03459 alanine QI48503 90.0549 7.83 HMDB00161 alloisoleucine TF7 132.1016 8.21 HMDB00557 alpha-glycerophosphocholine QI10921 258.1092 10.59 HMDB00086 anserine QI11000 241.1288 10.67 HMDB00194 arginine QI56014 175.1185 9.29 HMDB00517 asparagine QI49871 133.0604 8.04 HMDB00168 aspartate QI52002 134.0444 8.40 HMDB00191 atenolol QI41594 267.1696 6.93 HMDB01924 beta-alanine TF8 90.0549 8.01 HMDB00056 beta-guanidinopropionic acid QI45561 132.0765 7.47 HMDB13222 betaine QI55014 118.0863 8.99 HMDB00043 bilirubin QI4093 585.2686 1.65 HMDB00054 biliverdin QI9278 583.2533 1.96 HMDB01008 biotin TF9 245.0947 3.88 HMDB00030 butyrobetaine QI54568 146.1170 8.86 HMDB01161 cadaverine QI56817 103.1229 9.52 HMDB02322 caffeine QI17924 195.0873 2.86 HMDB01847 carnitine QI54746 162.1119 8.91 HMDB00062 C2 carnitine QI53997 204.1225 8.75 HMDB00201 C3 carnitine QI51877 218.1380 8.38 HMDB00824 C3-DC-CH3 carnitine QI53143 262.1276 8.60 HMDB13133 C4 carnitine QI50171 232.1535 8.08 HMDB02013 C4-OH carnitine QI54722 248.1483 8.90 HMDB13127 C5 carnitine QI48460 246.1690 7.83 HMDB00688 C5:1 carnitine QI48899 244.1535 7.91 HMDB02366 C5-DC carnitine QI51971 276.1431 8.39 HMDB13130 C6 carnitine QI46240 260.1847 7.56 HMDB00705 C7 carnitine QI45313 274.2002 7.43 HMDB13238 C8 carnitine QI44330 288.2157 7.33 HMDB00791 C9 carnitine QI43373 302.2313 7.22 HMDB13288 C10 carnitine QI42828 316.2469 7.13 HMDB00651 C10:2 carnitine QI43615 312.2156 7.25 HMDB13325 C12 carnitine QI41647 344.2781 6.94 HMDB02250 C12:1 carnitine QI41832 342.2625 6.97 HMDB13326 C14 carnitine QI40722 372.3093 6.79 HMDB05066 C14:1 carnitine QI40721 370.2937 6.79 HMDB02014 C14:2 carnitine QI41105 368.2779 6.85 HMDB13331 C16 carnitine QI39973 400.3408 6.67 HMDB00222 C16-OH carnitine QI42902 416.3354 7.14 HMDB13337 C18 carnitine QI39318 428.3719 6.56 HMDB00848 C18:1 carnitine QI39478 426.3562 6.58 HMDB05065 C18:1-OH carnitine QI42356 442.3511 7.05 HMDB13339 C18:2 carnitine QI39777 424.3406 6.63 HMDB06469 C20 carnitine QI38781 456.4035 6.47 HMDB06460 C26 carnitine QI37222 540.4973 6.26 HMDB06347 carnosine QI58051 227.1131 9.93 HMDB00033 cellobiose QI38700 343.1220 6.46 HMDB00055 C-glycosyltryptophan TF12 367.1486 7.13 NA choline QI51857 104.1069 8.38 HMDB00097 citrulline QI51952 176.1025 8.39 HMDB00904 creatine QI51690 132.0765 8.33 HMDB00064 creatinine QI38930 114.0663 6.50 HMDB00562 cyclohexylamine TF13 100.1120 6.46 HMDB31404 cystine QI55727 241.0303 9.20 HMDB00192 cytidine QI34130 244.0919 5.88 HMDB00089 cytosine QI36729 112.0506 6.20 HMDB00630 deoxyguanosine QI30418 268.1030 5.35 HMDB00085 dethiobiotin QI21085 215.1384 3.65 HMDB03581 diacetylspermine QI57508 287.2431 9.72 HMDB41876 dimethylglycine TF14 104.0705 8.54 HMDB00092 DMGV TF15 202.1183 7.91 HMDB0240212 ectoine QI54880 143.0810 8.95 NA GABA TF16 104.0705 7.57 HMDB00112 glucosamine QI46785 180.0862 7.60 HMDB01514 glutamate QI46779 148.0599 7.60 HMDB00148 glutamine QI50161 147.0759 8.08 HMDB00641 glycine QI49455 76.0392 7.96 HMDB00123 glycocholate QI29856 466.3146 5.26 HMDB00138 glycodeoxycholate/glycochenodeoxycholate QI23784 450.3198 4.24 HMDB00631 guanidinoacetic acid QI48591 118.0612 7.86 HMDB00128 guanine QI30394 152.0562 5.35 HMDB00132 hippurate QI16286 180.0650 2.51 HMDB00714 histamine QI56414 112.0870 9.41 HMDB00870 histidine QI57357 156.0763 9.67 HMDB00177 histidinol QI55845 142.0971 9.24 HMDB03431 homoarginine TF17 189.1341 9.32 HMDB00670 homocitrulline QI51834 190.1182 8.37 HMDB00679 hydroxyproline QI49093 132.0652 7.93 HMDB00725 hypoxanthine QI27086 137.0453 4.81 HMDB00157 imidazole propionate QI45414 141.0653 7.45 HMDB02271 imidazoleacetic acid QI50923 127.0501 8.20 HMDB02024 inosine QI27289 269.0870 4.84 HMDB00195 isoleucine TF18 132.1016 7.14 HMDB00172 isoxanthopterin QI23582 180.0511 4.21 HMDB00704 kynurenic acid QI29623 190.0493 5.22 HMDB00715 leucine TF19 132.1016 7.01 HMDB00687 linoleoyl ethanolamide QI9113 324.2884 1.96 HMDB12252 lysine QI56824 147.1123 9.52 HMDB01431 methionine QI42623 150.0578 7.10 HMDB00696 methionine sulfoxide QI53743 166.0527 8.71 HMDB02005 methyl N-methylanthranilate QI9018 166.0858 1.96 HMDB34169 methylguanidine QI40903 74.0712 6.82 HMDB01522 methylimidazoleacetic acid QI54684 141.0653 8.89 HMDB02820 methylthioadenosine QI23698 298.0957 4.23 HMDB01173 metronidazole QI17069 172.0710 2.71 HMDB15052 N1-acetylspermidine QI10133 188.1753 10.09 HMDB01276 N1-acetylspermine QI11591 245.2327 11.47 HMDB01186 N1-methyl-2-pyridone-5-carboxamide QI24069 153.0654 4.31 HMDB04193 "N2,N2-dimethylguanosine" QI32163 312.1276 5.62 HMDB04824 "N6,N6-dimethyllysine" QI10763 175.1436 10.47 HMDB13287 "N6,N6,N6-trimethyllysine" QI11612 189.1593 11.51 HMDB01325 N6-acetyllysine QI52011 189.1228 8.40 HMDB00206 N-acetylalanine QI21354 132.0652 3.72 HMDB00766 N-acetylaspartic acid QI23945 176.0549 4.28 HMDB00812 N-acetylglutamine QI41508 189.0865 6.92 HMDB06029 N-acetylhistamine QI48239 154.0969 7.80 HMDB13253 N-acetylleucine QI17328 174.1120 2.75 HMDB11756 N-acetylmethionine QI20199 192.0686 3.47 HMDB11745 N-acetylornithine QI52243 175.1073 8.44 HMDB03357 N-acetylputrescine QI49567 131.1176 7.99 HMDB02064 N-acetyltryptophan TF20 247.1068 2.79 HMDB13713 N-alpha-acetylarginine QI50938 217.1288 8.20 HMDB04620 N-carbamoyl-beta-alanine QI22957 133.0605 4.09 HMDB00026 niacinamide QI21423 123.0555 3.74 HMDB01406 nicotinate QI21004 124.0393 3.63 HMDB01488 N-lauroylglycine QI14926 258.2054 2.35 HMDB13272 N-methylproline QI53253 130.0860 8.63 NA N-methylserotonin QI37642 191.1173 6.32 HMDB04369 NMMA QI56834 189.1341 9.52 HMDB29416 oleoyl glycine QI13707 340.2832 2.19 HMDB13631 O-methyladenosine QI24871 282.1186 4.47 HMDB04326 ornithine QI56459 133.0968 9.42 HMDB00214 pantothenate QI18965 220.1173 3.14 HMDB00210 pantothenol QI21980 206.1381 3.87 HMDB04231 phenylacetylglutamine QI25332 265.1165 4.56 HMDB06344 phenylalanine TF21 166.0858 6.77 HMDB00159 phosphocholine QI11118 184.0728 10.78 HMDB01565 pipecolic acid QI49634 130.0861 8.00 HMDB00716 piperine QI8380 286.1426 1.93 HMDB29377 proline QI50471 116.0707 8.13 HMDB00162 proline-betaine QI55974 144.1014 9.28 HMDB04827 pseudouridine QI23062 245.0759 4.11 HMDB00767 pterin QI26840 164.0561 4.77 HMDB00802 putrescine QI57106 89.1072 9.57 HMDB01414 pyridoxine QI35649 170.0806 6.08 HMDB00239 pyroglutamic acid QI38386 130.0496 6.42 HMDB00267 ribothymidine QI18529 259.0914 3.01 HMDB00884 s-adenosylmethionine QI10785 399.1431 10.48 HMDB01185 sarcosine TF22 90.0549 8.12 HMDB00271 SDMA TF23 203.1497 9.82 HMDB03334 serine QI47585 106.0499 7.71 HMDB00187 serotonin QI37482 177.1018 6.30 HMDB00259 S-methyl-L-cysteine-S-oxide QI53211 152.0378 8.62 NA solanidine QI34527 398.3403 5.93 HMDB03236 spermidine QI11245 146.1647 10.95 HMDB01257 taurine QI35494 126.0219 6.06 HMDB00251 thiamine QI58091 265.1108 9.94 HMDB00235 threonine QI47475 120.0656 7.69 HMDB00167 trigonelline QI54639 138.0545 8.88 HMDB00875 trimethylamine-N-oxide TF28 76.0756 8.12 HMDB00925 trimethylbenzene QI3034 121.1012 1.56 HMDB13733 tryptamine QI36333 161.1068 6.16 HMDB00303 tryptophan TF29 205.0965 6.55 HMDB00929 tyramine QI37632 138.0908 6.32 HMDB00306 tyrosine TF30 182.0807 6.85 HMDB00158 urate QI23642 169.0351 4.22 HMDB00289 urobilin QI39672 595.3468 6.61 HMDB04159 urocanic acid QI25846 139.0497 4.67 HMDB00301 valine TF31 118.0863 7.44 HMDB00883 vitamin A QI2759 269.2253 1.54 HMDB00305 xanthine QI21076 153.0402 3.65 HMDB00292 xanthopterin QI26309 180.0511 4.72 NA xanthosine TF32 285.0827 4.29 HMDB00299 C14:0 LPC QI49329 468.3068 7.95 HMDB10379 C16:1 LPC QI48634 494.3226 7.86 HMDB10383 C16:0 LPC QI48339 496.3383 7.81 HMDB10382 C18:3 LPC QI48420 518.3203 7.82 HMDB10387 C18:2 LPC QI48342 520.3380 7.81 HMDB10386 C18:1 LPC QI47939 522.3541 7.75 HMDB02815 C18:0 LPC QI47575 524.3697 7.70 HMDB10384 C20:5 LPC QI48346 542.3202 7.81 HMDB10397 C20:4 LPC QI47941 544.3361 7.75 HMDB10395 C20:3 LPC TF10 546.3516 7.57 HMDB10393 C20:1 LPC QI47073 550.3855 7.62 HMDB10391 C24:0 LPC QI44976 608.4630 7.39 HMDB10405 C16:1 LPC plasmalogen QI47289 480.3433 7.65 HMDB10407 C18:1 LPC plasmalogen-A QI48635 508.3744 7.86 HMDB13122 C18:1 LPC plasmalogen-B QI46024 508.3747 7.53 HMDB13122 C16:0 LPE QI37599 454.2912 6.31 HMDB11503 C18:3 LPE QI37602 476.2736 6.31 HMDB11478 C18:2 LPE QI37370 478.2915 6.28 HMDB11507 C18:1 LPE QI37210 480.3070 6.26 HMDB11506 C18:0 LPE-A QI37077 482.3228 6.24 HMDB11130 C18:0 LPE-B QI48757 482.3227 7.88 HMDB11130 C20:4 LPE QI37216 502.2890 6.26 HMDB11517 C20:1 LPE QI48222 508.3382 7.79 HMDB11512 C20:0 LPE QI47938 510.3540 7.75 HMDB11511 C30:0 PC QI40427 706.5351 6.74 HMDB07869 C34:3 PC QI40113 756.5480 6.69 HMDB08006 C36:2 PC QI39556 786.5965 6.59 HMDB08039 C34:3 PC plasmalogen QI39553 742.5713 6.59 HMDB11211 C36:5 PC plasmalogen QI38974 766.5700 6.50 HMDB11220 C34:2 PE QI31590 716.5194 5.53 HMDB08928 C34:0 PE QI40238 720.5522 6.71 HMDB08925 C36:4 PE QI31531 740.5183 5.52 HMDB08937 C36:2 PE QI31447 744.5506 5.51 HMDB08994 C34:3 PE plasmalogen QI31306 700.5244 5.48 HMDB11343 C34:2 PE plasmalogen QI31353 702.5387 5.49 HMDB08952 C36:5 PE plasmalogen QI30928 724.5241 5.42 HMDB11410 C36:3 PE plasmalogen QI31099 728.5557 5.45 HMDB11441 C38:5 PE plasmalogen QI30641 752.5545 5.38 HMDB11386 C14:0 SM QI44590 675.5400 7.35 HMDB12097 C16:1 SM QI43840 701.5560 7.27 HMDB29216 C16:0 SM QI43758 703.5716 7.26 HMDB10169 C18:0 SM QI43193 731.6031 7.19 HMDB01348 C20:0 SM QI42803 759.6337 7.12 HMDB12102 C22:1 SM QI42427 785.6496 7.06 HMDB12104 C22:0 SM QI42428 787.6649 7.06 HMDB12103 sphingosine A TF24 300.2885 1.97 HMDB00252 sphingosine B TF25 300.2885 2.36 HMDB00252 sphingosine C TF26 300.2885 5.74 HMDB00252 sphingosine D TF27 300.2885 5.82 HMDB00252 phytosphingosine QI34427 318.2989 5.92 HMDB04610 sphinganine QI33790 302.3040 5.84 HMDB00269 C16:0 ceramide (d18:1) QI6992 538.5181 1.83 HMDB04949 C24:1 ceramide (d18:1) QI6076 648.6263 1.78 HMDB04953 METABOLITES_END #END