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Metabolite Statistics

DescriptionCount
Total Number of Metabolite Synonyms336,549
Total Number of Non-redundant Metabolites with Spectra46,179
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 Metabolites3,278
Total Number of Detected but Not Quantified Metabolites1,178
Total Number of Expected Metabolites100,096
Total Number of Metabolites114,100
Total Number of Endogenous Metabolites92,293
Total Number of Food Metabolites32,514
Total Number of Microbial Metabolites171
Total Number of Drug Metabolites2,486
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 Fluid18
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 Blood25,424
Total Number of Compounds Detected in Breast Milk114
Total Number of Compounds Detected in Cellular Cytoplasm49
Total Number of Compounds Detected in Cerebrospinal Fluid (CSF)440
Total Number of Compounds Detected in Feces1,170
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 Saliva1,234
Total Number of Compounds Detected in Sebum0
Total Number of Compounds Detected in Semen4
Total Number of Compounds Detected in Sweat90
Total Number of Compounds Detected in Synovial Fluid0
Total Number of Compounds Detected in Tear Fluid1
Total Number of Compounds Detected in Urine4,225
Total Number of Compounds Detected in Vaginal Fluid0

Concentration Statistics

DescriptionCount
Total Number of Concentration Entries20,971
Total Number of Normal Concentration Entries14,474
Total Number of Abnormal Concentration Entries6,496
Total Number of Amniotic Fluid Concentration Entries21
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 Entries10,647
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 Entries79
Total Number of Tear Fluid Concentration Entries1
Total Number of Urine Concentration Entries5,958
Total Number of Feces Concentration Entries433

Disease Statistics

DescriptionCount
Total Number of Different Diseases626
Total Number of Metabolites Associated with Diseases728
Total Number of Metabolite Concentrations for Diseases2,252

Spectra Statistics

DescriptionCount
Total Compounds with Spectra46,179
Total Compounds with NMR Spectra1,530
Total Compounds with NMR 1D Spectra1,523
Total Compounds with NMR 2D Spectra902
Total Compounds with MS Spectra46,177
Total NMR Spectra3,840
Total MS Spectra296,869
Total Predicted MS/MS Spectra243,368
Total Experimental MS/MS Spectra22,199
Total Spectra300,709

Instrument Spectra Statistics

DescriptionCount
Total Number of EI/MS Spectra980
Total Number of CI-B GC-MS Spectra274
Total Number of EI-B GC-MS Spectra2,925
Total Number of GC-EI-Q GC-MS Spectra11
Total Number of GC-EI-QQ GC-MS Spectra19
Total Number of GC-EI-TOF GC-MS Spectra1,356
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 Spectra25,119
Total Number of MS/MS Spectra1,561
Total Number of Predicted High Energy MS/MS Spectra81,021
Total Number of Predicted Low Energy MS/MS Spectra81,326
Total Number of Predicted Med Energy MS/MS Spectra81,021
Total Number of APCI-ITFT MS/MS Spectra338
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 DI-ESI-Hybrid FT MS/MS Spectra6
Total Number of DI-ESI-Ion Trap MS/MS Spectra4
Total Number of DI-ESI-Q-Exactive Plus MS/MS Spectra2
Total Number of DI-ESI-qTof MS/MS Spectra98
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 ESI-ITFT MS/MS Spectra252
Total Number of ESI-QTOF MS/MS Spectra1
Total Number of ESI-TOF MS/MS Spectra8
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 MS/MS Spectra26
Total Number of LC-APPI-QQ (API2000) MS/MS Spectra13
Total Number of LC-ESI-Hybrid FT MS/MS Spectra2
Total Number of LC-ESI-Ion Trap MS/MS Spectra2
Total Number of LC-ESI-IT MS/MS Spectra203
Total Number of LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) MS/MS Spectra123
Total Number of LC-ESI-ITFT MS/MS Spectra3,294
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 MS/MS Spectra11
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-QFT MS/MS Spectra2,144
Total Number of LC-ESI-QIT MS/MS Spectra117
Total Number of LC-ESI-QIT (4000Q TRAP, Applied Biosystems) MS/MS Spectra2
Total Number of LC-ESI-QQ MS/MS Spectra2,951
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 MS/MS Spectra3,178
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 LC-ESI-TOF MS/MS Spectra294
Total Number of Linear Ion Trap MS/MS Spectra1,196
Total Number of MALDI-TOF (Voyager DE-PRO, Applied Biosystems) MS/MS Spectra7
Total Number of High Energy Quattro_QQQ MS/MS Spectra789
Total Number of Low Energy Quattro_QQQ MS/MS Spectra807
Total Number of Med Energy Quattro_QQQ MS/MS Spectra798
Total Number of 13C NMR Spectra1,011
Total Number of 1H NMR Spectra1,798
Total Number of [1H,13C] 2D NMR Spectra873
Total Number of [1H,1H] 2D NMR Spectra158

Protein Statistics

DescriptionCount
Total Number of Unique Enzymes2,126
Total Number of Unique Transporters0
Total Number of Unique Proteins5,779
Total Number of Proteins with PDB Accessions1,604

Reference Statistics

DescriptionCount
Total Number of References71,323
DescriptionCount
ChemSpider links15,790
PubChem Compound links17,658
KEGG Compound links7,361
KEGG Pathways links306
ChEBI Compound links6,389
Wikipedia links5,944