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Metabolite Statistics

DescriptionCount
Total Number of Metabolite Synonyms0
Total Number of Non-redundant Metabolites with Spectra883
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 Metabolites404
Total Number of Detected but Not Quantified Metabolites654
Total Number of Expected Metabolites12
Total Number of Metabolites1,070
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 Entries3,235

Spectra Statistics

DescriptionCount
Total Compounds with Spectra883
Total Compounds with NMR Spectra420
Total Compounds with NMR 1D Spectra415
Total Compounds with NMR 2D Spectra367
Total Compounds with MS Spectra883
Total NMR Spectra1,439
Total MS Spectra14,730
Total Predicted MS/MS Spectra4,864
Total Experimental MS/MS Spectra5,881
Total Spectra16,169

Instrument Spectra Statistics

DescriptionCount
Total Number of EI/MS Spectra198
Total Number of CI-B GC-MS Spectra27
Total Number of EI-B GC-MS Spectra559
Total Number of GC-EI-QQ GC-MS Spectra19
Total Number of GC-EI-TOF GC-MS Spectra847
Total Number of GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) GC-MS Spectra448
Total Number of GC-MS GC-MS Spectra1,887
Total Number of MS/MS Spectra161
Total Number of Predicted High Energy MS/MS Spectra1,618
Total Number of Predicted Low Energy MS/MS Spectra1,628
Total Number of Predicted Med Energy MS/MS Spectra1,618
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 Spectra4
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 ESI-TOF MS/MS Spectra13
Total Number of FAB-EBEB (JMS-HX/HX 110A, JEOL) MS/MS Spectra3
Total Number of LC-ESI-IT MS/MS Spectra95
Total Number of LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) MS/MS Spectra43
Total Number of LC-ESI-ITFT MS/MS Spectra433
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 Spectra77
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 Spectra1,088
Total Number of LC-ESI-QQ (API3000, Applied Biosystems) MS/MS Spectra168
Total Number of LC-ESI-QQ (UPLC Waters, Quattro Ultima Pt Micromass) MS/MS Spectra1
Total Number of LC-ESI-qTof MS/MS Spectra407
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 High Energy Quattro_QQQ MS/MS Spectra315
Total Number of Low Energy Quattro_QQQ MS/MS Spectra325
Total Number of Med Energy Quattro_QQQ MS/MS Spectra323
Total Number of 13C NMR Spectra346
Total Number of 1H NMR Spectra631
Total Number of [1H,13C] 2D NMR Spectra351
Total Number of [1H,1H] 2D NMR Spectra111

Reference Statistics

DescriptionCount
Total Number of References616
DescriptionCount
ChemSpider links0
PubChem Compound links0
KEGG Compound links0
KEGG Pathways links0
ChEBI Compound links0
Wikipedia links0