Database Statistics

Metabolite Statistics

DescriptionCount
Total Number of Metabolite Synonyms0
Total Number of Non-redundant Metabolites with Spectra1,159
Total Number of Metabolites Having Associated Proteins (Enzymes and Transporters)0
Total Number of Metabolite in the Human Metabolome Library (HML)1,027
Total Number of Metabolites with Synthesis Records0
Total Number of Detected and Quantified Metabolites565
Total Number of Detected but Not Quantified Metabolites629
Total Number of Expected Metabolites8
Total Number of Metabolites1,202
Total Number of Endogenous Metabolites0
Total Number of Food Metabolites0
Total Number of Microbial Metabolites0
Total Number of Drug Metabolites0
Total Number of Plant Metabolites0
Total Number of Toxin/Pollutant Metabolites0
Total Number of Cosmetic Metabolites0

Biofluid Statistics

DescriptionCount
Total Number of Different Biofluids33

Concentration Statistics

DescriptionCount
Total Number of Concentration Entries6,357

Spectra Statistics

DescriptionCount
Total Compounds with Spectra1,159
Total Compounds with NMR Spectra568
Total Compounds with NMR 1D Spectra566
Total Compounds with NMR 2D Spectra370
Total Compounds with MS Spectra1,159
Total NMR Spectra10,080
Total MS Spectra39,144
Total Predicted MS/MS Spectra13,619
Total Experimental MS/MS Spectra12,449
Total Spectra50,140

Instrument Spectra Statistics

DescriptionCount
Total Number of EI/MS Spectra204
Total Number of CI-B GC-MS Spectra27
Total Number of EI-B GC-MS Spectra565
Total Number of GC-EI-QQ GC-MS Spectra19
Total Number of GC-EI-TOF GC-MS Spectra861
Total Number of GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) GC-MS Spectra450
Total Number of GC-MS GC-MS Spectra10,950
Total Number of MS/MS Spectra6
Total Number of Predicted High Energy MS/MS Spectra4,536
Total Number of Predicted Low Energy MS/MS Spectra4,546
Total Number of Predicted Med Energy MS/MS Spectra2,050
Total Number of Predicted Medium Energy MS/MS Spectra2,487
Total Number of APCI-ITFT MS/MS Spectra56
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 Spectra1
Total Number of CI-B (HITACHI M-60) MS/MS Spectra1
Total Number of CI-B (HITACHI M-80) MS/MS Spectra3
Total Number of CI-B (JEOL JMS-D-300) MS/MS Spectra1
Total Number of CI-B (Unknown) MS/MS Spectra1
Total Number of DI-ESI-Q-Exactive Plus MS/MS Spectra2
Total Number of DI-ESI-qTof MS/MS Spectra7
Total Number of EI-B (HITACHI M-52) MS/MS Spectra6
Total Number of EI-B (HITACHI M-60) MS/MS Spectra4
Total Number of EI-B (HITACHI M-68) MS/MS Spectra5
Total Number of EI-B (HITACHI M-80) MS/MS Spectra30
Total Number of EI-B (HITACHI M-80A) MS/MS Spectra2
Total Number of EI-B (HITACHI M-80B) MS/MS Spectra34
Total Number of EI-B (HITACHI RMU-6E) MS/MS Spectra2
Total Number of EI-B (HITACHI RMU-6L) MS/MS Spectra5
Total Number of EI-B (HITACHI RMU-6M) MS/MS Spectra16
Total Number of EI-B (HITACHI RMU-7) MS/MS Spectra1
Total Number of EI-B (HITACHI RMU-7M) MS/MS Spectra19
Total Number of EI-B (HP 5970) MS/MS Spectra1
Total Number of EI-B (JEOL JMS-01-SG-2) MS/MS Spectra2
Total Number of EI-B (JEOL JMS-AX-505-H) MS/MS Spectra2
Total Number of EI-B (JEOL JMS-D-300) MS/MS Spectra1
Total Number of EI-B (JEOL JMS-D-3000) MS/MS Spectra5
Total Number of EI-B (MX-1303) MS/MS Spectra3
Total Number of EI-B (SHIMADZU LKB-9000B) MS/MS Spectra2
Total Number of EI-B (SHIMADZU QP-1000) MS/MS Spectra1
Total Number of EI-B (Unknown) MS/MS Spectra12
Total Number of EI-B (VARIAN MAT-44) MS/MS Spectra5
Total Number of EI-EBEB (JMS-HX/HX 110A, JEOL) MS/MS Spectra1
Total Number of ESI-ITFT MS/MS Spectra57
Total Number of Low Energy ESI-QFT MS/MS Spectra1
Total Number of ESI-TOF MS/MS Spectra13
Total Number of FAB-EBEB (JMS-HX/HX 110A, JEOL) MS/MS Spectra3
Total Number of Low Energy IT MS/MS Spectra1
Total Number of LC-ESI-IT MS/MS Spectra96
Total Number of Low Energy LC-ESI-IT MS/MS Spectra1
Total Number of LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) MS/MS Spectra43
Total Number of LC-ESI-ITFT MS/MS Spectra437
Total Number of Low Energy LC-ESI-ITFT MS/MS Spectra1
Total Number of LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) MS/MS Spectra571
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 Spectra1
Total Number of LC-ESI-QFT MS/MS Spectra89
Total Number of Low Energy LC-ESI-QFT MS/MS Spectra1
Total Number of LC-ESI-QIT MS/MS Spectra9
Total Number of LC-ESI-QIT (4000Q TRAP, Applied Biosystems) MS/MS Spectra1
Total Number of LC-ESI-QQ MS/MS Spectra1,108
Total Number of LC-ESI-QQ (API3000, Applied Biosystems) MS/MS Spectra170
Total Number of LC-ESI-QQ (UPLC Waters, Quattro Ultima Pt Micromass) MS/MS Spectra1
Total Number of LC-ESI-qTof MS/MS Spectra409
Total Number of Low Energy LC-ESI-QTOF 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 Spectra43
Total Number of LC-ESI-TOF MS/MS Spectra69
Total Number of Linear Ion Trap MS/MS Spectra257
Total Number of MALDI-TOF (Voyager DE-PRO, Applied Biosystems) MS/MS Spectra5
Total Number of Low Energy n/a MS/MS Spectra2
Total Number of NA MS/MS Spectra3
Total Number of Low Energy NA MS/MS Spectra1
Total Number of Low Energy Orbitrap MS/MS Spectra1
Total Number of QqQ MS/MS Spectra1
Total Number of Low Energy QqQ MS/MS Spectra1
Total Number of Low Energy QTOF MS/MS Spectra1
Total Number of High Energy Quattro_QQQ MS/MS Spectra323
Total Number of Low Energy Quattro_QQQ MS/MS Spectra333
Total Number of Med Energy Quattro_QQQ MS/MS Spectra331
Total Number of 13C NMR Spectra4,662
Total Number of 1H NMR Spectra4,944
Total Number of [1H,13C] 2D NMR Spectra360
Total Number of [1H,1H] 2D NMR Spectra114
Total Number of MS-IR Spectra916

Reference Statistics

DescriptionCount
Total Number of References618
DescriptionCount
ChemSpider links0
PubChem Compound links0
KEGG Compound links0
KEGG Pathways links0
ChEBI Compound links0
Wikipedia links0