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Database Statistics

Metabolite Statistics

DescriptionCount
Total Number of Metabolites114,100
Total Number of Detected and Quantified Metabolites18,601
Total Number of Detected but Not Quantified Metabolites4,553
Total Number of Expected Metabolites98,825
Total Number of Predicted Metabolites95,345
Total Number of Endogenous Metabolites82,660
Total Number of Food Metabolites32,401
Total Number of Microbial Metabolites172
Total Number of Drug Metabolites2,408
Total Number of Plant Metabolites146
Total Number of Toxin/Pollutant Metabolites158
Total Number of Cosmetic Metabolites17
Total Number of Metabolites Having Associated Proteins (Enzymes and Transporters)21,695
Total Number of Metabolite in the Human Metabolome Library (HML)867
Total Number of Metabolites with Synthesis Records1,608

Biospecimen Statistics

DescriptionCount
Total Number of Different Biospecimens18
Total Number of Compounds Detected in Amniotic Fluid18
Total Number of Compounds Detected in Bile Fluid19
Total Number of Compounds Detected in Blood19,164
Total Number of Compounds Detected in Breast Milk121
Total Number of Compounds Detected in Breath60
Total Number of Compounds Detected in Cellular Cytoplasm49
Total Number of Compounds Detected in Cerebrospinal Fluid (CSF)445
Total Number of Compounds Detected in Feces6,798
Total Number of Compounds Detected in Prostate Tissue12
Total Number of Compounds Detected in Saliva1,243
Total Number of Compounds Detected in Semen11
Total Number of Compounds Detected in Sweat91
Total Number of Compounds Detected in Urine2,966

Concentration Statistics

DescriptionCount
Total Number of Compounds Detected and Quantified for Normal Individuals3,294
Total Number of Compounds Detected and Quantified for Abnormal Conditions1,792
Total Number of Compounds Detected and Quantified in Amniotic Fluid18
Total Number of Compounds Detected and Quantified in Bile Fluid18
Total Number of Compounds Detected and Quantified in Blood18,053
Total Number of Compounds Detected and Quantified in Breast Milk95
Total Number of Compounds Detected and Quantified in Cellular Cytoplasm49
Total Number of Compounds Detected and Quantified in Cerebrospinal Fluid (CSF)443
Total Number of Compounds Detected and Quantified in Feces1,008
Total Number of Compounds Detected and Quantified in Prostate Tissue12
Total Number of Compounds Detected and Quantified in Saliva731
Total Number of Compounds Detected and Quantified in Sweat41
Total Number of Compounds Detected and Quantified in Urine2,041

Disease Statistics

DescriptionCount
Total Number of Different Diseases660
Total Number of Metabolites Associated with Diseases22,603
Total Number of Metabolite Concentrations for Diseases32,092

Spectra Statistics

DescriptionCount
Total Spectra351,811
Total Compounds with Spectra109,518
Total NMR Spectra3,897
Total Compounds with NMR Spectra2,391
Total NMR 1D Spectra2,862
Total Compounds with NMR 1D Spectra1,513
Total NMR 2D Spectra1,035
Total Compounds with NMR 2D Spectra878
Total Experimental LC-MS/MS Spectra22,247
Total Compounds with Experimental LC-MS/MS Spectra2,265
Total Predicted LC-MS/MS Spectra279,972
Total Compounds with Predicted LC-MS/MS Spectra98,601
Total Experimental GC-MS Spectra7,418
Total Compounds with Experimental GC-MS Spectra2,544
Total Predicted GC-MS Spectra38,277
Total Compounds with Predicted GC-MS Spectra26,880

Instrument Spectra Statistics

DescriptionCount
Total Number of EI/MS Spectra1,362
Total Number of CI-B GC-MS Spectra513
Total Number of EI-B GC-MS Spectra5,475
Total Number of GC-EI-Q GC-MS Spectra50
Total Number of GC-EI-QQ GC-MS Spectra19
Total Number of GC-EI-TOF GC-MS Spectra1,677
Total Number of GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) GC-MS Spectra603
Total Number of GC-MS GC-MS Spectra32,197
Total Number of MS/MS Spectra42
Total Number of Predicted High Energy MS/MS Spectra265,496
Total Number of Predicted Low Energy MS/MS Spectra262,525
Total Number of Predicted Med Energy MS/MS Spectra158,038
Total Number of Predicted Medium Energy MS/MS Spectra114,231
Total Number of APCI-ITFT MS/MS Spectra358
Total Number of Low Energy APCI-ITFT MS/MS Spectra2
Total Number of CE-ESI-TOF (CE-system connected to 6210 Time-of-Flight MS, Agilent) MS/MS Spectra20
Total Number of High Energy CE-QTOF-MS system (Agilent 7100 CE + 6550 QTOF) MS/MS Spectra1
Total Number of Low Energy CE-QTOF-MS system (Agilent 7100 CE + 6550 QTOF) MS/MS Spectra2
Total Number of Mid Energy CE-QTOF-MS system (Agilent 7100 CE + 6550 QTOF) MS/MS Spectra4
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 Spectra99
Total Number of Low Energy EBE MS/MS Spectra1
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 Spectra267
Total Number of Low Energy ESI-ITFT MS/MS Spectra2
Total Number of Low Energy ESI-QFT MS/MS Spectra2
Total Number of ESI-QTOF MS/MS Spectra1
Total Number of ESI-TOF MS/MS Spectra1
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 Low Energy IT MS/MS Spectra7
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 Spectra209
Total Number of Low Energy LC-ESI-IT MS/MS Spectra2
Total Number of LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) MS/MS Spectra123
Total Number of LC-ESI-ITFT MS/MS Spectra3,463
Total Number of Low Energy LC-ESI-ITFT MS/MS Spectra2
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 Spectra13
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 Spectra2,456
Total Number of Low Energy LC-ESI-QFT MS/MS Spectra1
Total Number of LC-ESI-QIT MS/MS Spectra126
Total Number of LC-ESI-QIT (4000Q TRAP, Applied Biosystems) MS/MS Spectra2
Total Number of LC-ESI-QQ MS/MS Spectra3,089
Total Number of Low Energy LC-ESI-QQ MS/MS Spectra1
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-QQQ MS/MS Spectra1
Total Number of LC-ESI-qTof MS/MS Spectra3,376
Total Number of Low Energy LC-ESI-QTOF MS/MS Spectra31
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 Spectra289
Total Number of Low Energy LC-Q-TOF/MS MS/MS Spectra1
Total Number of Linear Ion Trap MS/MS Spectra1,229
Total Number of Low Energy Linear Ion Trap MS/MS Spectra3
Total Number of MALDI-TOF (Voyager DE-PRO, Applied Biosystems) MS/MS Spectra7
Total Number of Low Energy n/a MS/MS Spectra1
Total Number of NA MS/MS Spectra81
Total Number of Low Energy NA MS/MS Spectra2
Total Number of Low Energy Orbitrap MS/MS Spectra1
Total Number of Q Exactive HF MS/MS Spectra1
Total Number of Low Energy QIT MS/MS Spectra3
Total Number of QqQ MS/MS Spectra2
Total Number of Low Energy QqQ MS/MS Spectra5
Total Number of Low Energy QTOF MS/MS Spectra1
Total Number of Quattro_QQQ MS/MS Spectra1
Total Number of High Energy Quattro_QQQ MS/MS Spectra786
Total Number of Low Energy Quattro_QQQ MS/MS Spectra805
Total Number of Med Energy Quattro_QQQ MS/MS Spectra796
Total Number of 13C NMR Spectra8,741
Total Number of 1H NMR Spectra9,532
Total Number of [1H,13C] 2D NMR Spectra891
Total Number of [1H,1H] 2D NMR Spectra161

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 References73,281
DescriptionCount
ChemSpider links15,715
PubChem Compound links17,393
KEGG Compound links7,242
KEGG Pathways links306
ChEBI Compound links6,240
Wikipedia links5,851