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Metabolite Statistics

DescriptionCount
Total Number of Metabolite Synonyms333,314
Total Number of Non-redundant Metabolites with Spectra15,007
Total Number of Metabolites Having Associated Proteins (Enzymes and Transporters)22,138
Total Number of Metabolite in the Human Metabolome Library (HML)1,027
Total Number of Metabolites with Synthesis Records1,623
Total Number of Detected and Quantified Metabolites3,037
Total Number of Detected but Not Quantified Metabolites811
Total Number of Expected Metabolites38,155
Total Number of Metabolites42,003
Total Number of Endogenous Metabolites29,266
Total Number of Food Metabolites32,518
Total Number of Microbial Metabolites172
Total Number of Drug Metabolites2,485
Total Number of Plant Metabolites149
Total Number of Toxin/Pollutant Metabolites164
Total Number of Cosmetic Metabolites17

Biofluid Statistics

DescriptionCount
Total Number of Different Biofluids17
Total Number of Compounds Detected in Amniotic Fluid17
Total Number of Compounds Detected in Aqueous Humour1
Total Number of Compounds Detected in Ascites Fluid1
Total Number of Compounds Detected in Bile Fluid18
Total Number of Compounds Detected in Blood4,561
Total Number of Compounds Detected in Breast Milk88
Total Number of Compounds Detected in Cellular Cytoplasm49
Total Number of Compounds Detected in Cerebrospinal Fluid (CSF)440
Total Number of Compounds Detected in Feces695
Total Number of Compounds Detected in Lymph1
Total Number of Compounds Detected in Menses0
Total Number of Compounds Detected in Mucus0
Total Number of Compounds Detected in Pericardial Effusion1
Total Number of Compounds Detected in Prostate Tissue12
Total Number of Compounds Detected in Saliva1,233
Total Number of Compounds Detected in Sebum0
Total Number of Compounds Detected in Semen4
Total Number of Compounds Detected in Sweat1
Total Number of Compounds Detected in Synovial Fluid0
Total Number of Compounds Detected in Tear Fluid1
Total Number of Compounds Detected in Urine4,060
Total Number of Compounds Detected in Vaginal Fluid0

Concentration Statistics

DescriptionCount
Total Number of Concentration Entries14,897
Total Number of Normal Concentration Entries11,172
Total Number of Abnormal Concentration Entries3,724
Total Number of Amniotic Fluid Concentration Entries20
Total Number of Aqueous Humour Concentration Entries1
Total Number of Ascites Fluid Concentration Entries1
Total Number of Bile Fluid Concentration Entries26
Total Number of Blood Concentration Entries5,109
Total Number of Breast Milk Concentration Entries104
Total Number of Cellular Cytoplasm Concentration Entries68
Total Number of Cerebrospinal Fluid (CSF) Concentration Entries1,714
Total Number of Lymph Concentration Entries1
Total Number of Pericardial Effusion Concentration Entries2
Total Number of Prostate Tissue Concentration Entries13
Total Number of Saliva Concentration Entries1,927
Total Number of Semen Concentration Entries4
Total Number of Sweat Concentration Entries1
Total Number of Tear Fluid Concentration Entries1
Total Number of Urine Concentration Entries5,540
Total Number of Feces Concentration Entries394

Disease Statistics

DescriptionCount
Total Number of Different Diseases626
Total Number of Metabolites Associated with Diseases729
Total Number of Metabolite Concentrations for Diseases2,252

Spectra Statistics

DescriptionCount
Total Compounds with Spectra15,007
Total Compounds with NMR Spectra1,504
Total Compounds with NMR 1D Spectra1,497
Total Compounds with NMR 2D Spectra905
Total Compounds with MS Spectra14,984
Total NMR Spectra3,804
Total MS Spectra96,905
Total Predicted MS/MS Spectra87,886
Total Experimental MS/MS Spectra5,774
Total Spectra100,709

Instrument Spectra Statistics

DescriptionCount
Total Number of EI/MS Spectra955
Total Number of GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) GC-MS Spectra618
Total Number of GC-MS GC-MS Spectra1,672
Total Number of Predicted High Energy MS/MS Spectra29,263
Total Number of Predicted Low Energy MS/MS Spectra29,360
Total Number of Predicted Med Energy MS/MS Spectra29,263
Total Number of CE-ESI-TOF (CE-system connected to 6210 Time-of-Flight MS, Agilent) MS/MS Spectra20
Total Number of CI-B (FINNIGAN-MAT 4500) MS/MS Spectra2
Total Number of CI-B (HITACHI M-60) MS/MS Spectra3
Total Number of CI-B (HITACHI M-80) MS/MS Spectra8
Total Number of CI-B (JEOL JMS-D-300) MS/MS Spectra1
Total Number of CI-B (Unknown) MS/MS Spectra5
Total Number of EI-B (HITACHI M-52) MS/MS Spectra11
Total Number of EI-B (HITACHI M-60) MS/MS Spectra10
Total Number of EI-B (HITACHI M-68) MS/MS Spectra7
Total Number of EI-B (HITACHI M-80) MS/MS Spectra54
Total Number of EI-B (HITACHI M-80A) MS/MS Spectra2
Total Number of EI-B (HITACHI M-80B) MS/MS Spectra64
Total Number of EI-B (HITACHI RMU-6D) MS/MS Spectra1
Total Number of EI-B (HITACHI RMU-6E) MS/MS Spectra7
Total Number of EI-B (HITACHI RMU-6L) MS/MS Spectra11
Total Number of EI-B (HITACHI RMU-6M) MS/MS Spectra47
Total Number of EI-B (HITACHI RMU-7) MS/MS Spectra2
Total Number of EI-B (HITACHI RMU-7L) MS/MS Spectra1
Total Number of EI-B (HITACHI RMU-7M) MS/MS Spectra43
Total Number of EI-B (HP 5970) MS/MS Spectra5
Total Number of EI-B (JEOL JMS-01-SG-2) MS/MS Spectra9
Total Number of EI-B (JEOL JMS-06-H) MS/MS Spectra1
Total Number of EI-B (JEOL JMS-AX-505-H) MS/MS Spectra5
Total Number of EI-B (JEOL JMS-D-300) MS/MS Spectra2
Total Number of EI-B (JEOL JMS-D-3000) MS/MS Spectra15
Total Number of EI-B (JEOL JMS-DX-300) MS/MS Spectra2
Total Number of EI-B (JEOL JMS-HX-100) MS/MS Spectra1
Total Number of EI-B (MX-1303) MS/MS Spectra4
Total Number of EI-B (SHIMADZU LKB-9000B) MS/MS Spectra4
Total Number of EI-B (SHIMADZU QP-1000) MS/MS Spectra6
Total Number of EI-B (Unknown) MS/MS Spectra26
Total Number of EI-B (VARIAN MAT-44) MS/MS Spectra9
Total Number of EI-EBEB (JMS-HX/HX 110A, JEOL) MS/MS Spectra4
Total Number of FAB-EBEB (JMS-HX/HX 110A, JEOL) MS/MS Spectra4
Total Number of FD-B (Unknown) MS/MS Spectra1
Total Number of LC-APPI-QQ (API2000) MS/MS Spectra13
Total Number of LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) MS/MS Spectra123
Total Number of LC-ESI-ITFT (LTQ Orbitrap XL Thermo Scientific) MS/MS Spectra1
Total Number of LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) MS/MS Spectra685
Total Number of LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientific ) MS/MS Spectra3
Total Number of LC-ESI-ITTOF (LCMS-IT-TOF) MS/MS Spectra19
Total Number of LC-ESI-ITTOF (Shimadzu LC20A-IT-TOFMS) MS/MS Spectra2
Total Number of LC-ESI-QIT (4000Q TRAP, Applied Biosystems) MS/MS Spectra2
Total Number of LC-ESI-QQ (API3000, Applied Biosystems) MS/MS Spectra312
Total Number of LC-ESI-QQ (UPLC Waters, Quattro Ultima Pt Micromass) MS/MS Spectra1
Total Number of LC-ESI-QTOF (ACQUITY UPLC System, Waters) MS/MS Spectra2
Total Number of LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) MS/MS Spectra66
Total Number of MALDI-TOF (Voyager DE-PRO, Applied Biosystems) MS/MS Spectra7
Total Number of High Energy Quattro_QQQ MS/MS Spectra791
Total Number of Low Energy Quattro_QQQ MS/MS Spectra809
Total Number of Med Energy Quattro_QQQ MS/MS Spectra800
Total Number of 13C NMR Spectra987
Total Number of 1H NMR Spectra1,782
Total Number of [1H,13C] 2D NMR Spectra877
Total Number of [1H,1H] 2D NMR Spectra158

Protein Statistics

DescriptionCount
Total Number of Unique Enzymes2,125
Total Number of Unique Transporters0
Total Number of Unique Proteins5,778
Total Number of Proteins with PDB Accessions1,603

Reference Statistics

DescriptionCount
Total Number of References69,841
DescriptionCount
ChemSpider links15,791
PubChem Compound links17,031
KEGG Compound links7,265
KEGG Pathways links306
ChEBI Compound links4,886
Wikipedia links5,454