Human Metabolome Database: Database Statistics

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Metabolite Statistics

Description	Count
Total Number of Metabolites	220,945
Total Number of Detected and Quantified Metabolites	18,588
Total Number of Detected but Not Quantified Metabolites	19,448
Total Number of Expected Metabolites	84,542
Total Number of Predicted Metabolites	95,342
Total Number of Endogenous Metabolites	82,595
Total Number of Food Metabolites	32,368
Total Number of Microbial Metabolites	172
Total Number of Drug Metabolites	2,383
Total Number of Plant Metabolites	146
Total Number of Toxin/Pollutant Metabolites	157
Total Number of Cosmetic Metabolites	17
Total Number of Metabolites Having Associated Proteins (Enzymes and Transporters)	71,168
Total Number of Metabolite in the Human Metabolome Library (HML)	867
Total Number of Metabolites with Synthesis Records	1,608
Total Number of Oxidized Lipids	40,248
Total Number of Cardiolipins	52,783
Total Number of Blood Exposome Compounds	17,466
Total Number of Acylcarnitines and AcylCoAs	2,189
Total Number of Acylamides	188
Total Derivatized Compounds (TMS and TBDMS)	2,127,525

Biospecimen Statistics

Description	Count
Total Number of Different Biospecimens	18
Total Number of Compounds Detected in Amniotic Fluid	18
Total Number of Compounds Detected in Bile Fluid	19
Total Number of Compounds Detected in Blood	34,078
Total Number of Compounds Detected in Breast Milk	121
Total Number of Compounds Detected in Breath	60
Total Number of Compounds Detected in Cellular Cytoplasm	49
Total Number of Compounds Detected in Cerebrospinal Fluid (CSF)	449
Total Number of Compounds Detected in Feces	6,791
Total Number of Compounds Detected in Prostate Tissue	12
Total Number of Compounds Detected in Saliva	1,238
Total Number of Compounds Detected in Semen	11
Total Number of Compounds Detected in Sweat	91
Total Number of Compounds Detected in Urine	2,961

Concentration Statistics

Description	Count
Total Number of Compounds Detected and Quantified for Normal Individuals	3,292
Total Number of Compounds Detected and Quantified for Abnormal Conditions	1,791
Total Number of Compounds Detected and Quantified in Amniotic Fluid	18
Total Number of Compounds Detected and Quantified in Bile Fluid	18
Total Number of Compounds Detected and Quantified in Blood	18,041
Total Number of Compounds Detected and Quantified in Breast Milk	95
Total Number of Compounds Detected and Quantified in Cellular Cytoplasm	49
Total Number of Compounds Detected and Quantified in Cerebrospinal Fluid (CSF)	447
Total Number of Compounds Detected and Quantified in Feces	1,007
Total Number of Compounds Detected and Quantified in Prostate Tissue	12
Total Number of Compounds Detected and Quantified in Saliva	730
Total Number of Compounds Detected and Quantified in Sweat	41
Total Number of Compounds Detected and Quantified in Urine	2,041

Disease Statistics

Description	Count
Total Number of Different Diseases	660
Total Number of Metabolites Associated with Diseases	22,600
Total Number of Metabolite Concentrations for Diseases	32,087

Spectra Statistics

Description	Count
Total Spectra	11,658,016
Total Compounds with Spectra	109,518
Total NMR Spectra	296,140
Total Compounds with NMR Spectra	220,945
Total NMR 1D Spectra	299,776
Total Compounds with NMR 1D Spectra	220,945
Total NMR 2D Spectra	1,052
Total Compounds with NMR 2D Spectra	930
Total Experimental LC-MS/MS Spectra	64,830
Total Compounds with Experimental LC-MS/MS Spectra	4,424
Total Predicted LC-MS/MS Spectra	1,325,670
Total Compounds with Predicted LC-MS/MS Spectra	98,601
Total Experimental GC-MS Spectra	12,814
Total Compounds with Experimental GC-MS Spectra	3,014
Total Predicted GC-MS Spectra	2,269,103
Total Compounds with Predicted GC-MS Spectra	26,880
Total Predicted Retention Indices	6,696,126
Total Predicted Collision Cross Section Values	883,780

Instrument Spectra Statistics

Description	Count
Total Number of EI/MS Spectra	1,395
Total Number of CI-B GC-MS Spectra	513
Total Number of EI-B GC-MS Spectra	5,486
Total Number of GC-EI-Q GC-MS Spectra	53
Total Number of GC-EI-QQ GC-MS Spectra	19
Total Number of GC-EI-TOF GC-MS Spectra	1,699
Total Number of GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) GC-MS Spectra	607
Total Number of GC-MS GC-MS Spectra	629,424
Total Number of MS/MS Spectra	42
Total Number of Predicted High Energy MS/MS Spectra	595,422
Total Number of Predicted Low Energy MS/MS Spectra	595,788
Total Number of Predicted Med Energy MS/MS Spectra	163,395
Total Number of Predicted Medium Energy MS/MS Spectra	432,096
Total Number of APCI-ITFT MS/MS Spectra	358
Total Number of Low Energy APCI-ITFT MS/MS Spectra	2
Total Number of CE-ESI-TOF (CE-system connected to 6210 Time-of-Flight MS, Agilent) MS/MS Spectra	20
Total Number of High Energy CE-QTOF-MS system (Agilent 7100 CE + 6550 QTOF) MS/MS Spectra	1
Total Number of Low Energy CE-QTOF-MS system (Agilent 7100 CE + 6550 QTOF) MS/MS Spectra	2
Total Number of Mid Energy CE-QTOF-MS system (Agilent 7100 CE + 6550 QTOF) MS/MS Spectra	4
Total Number of CI-B (FINNIGAN-MAT 4500) MS/MS Spectra	2
Total Number of CI-B (HITACHI M-60) MS/MS Spectra	3
Total Number of CI-B (HITACHI M-80) MS/MS Spectra	8
Total Number of CI-B (JEOL JMS-D-300) MS/MS Spectra	1
Total Number of CI-B (Unknown) MS/MS Spectra	5
Total Number of DI-ESI-Hybrid FT MS/MS Spectra	6
Total Number of DI-ESI-Ion Trap MS/MS Spectra	4
Total Number of DI-ESI-Q-Exactive Plus MS/MS Spectra	2
Total Number of DI-ESI-qTof MS/MS Spectra	101
Total Number of Low Energy EBE MS/MS Spectra	1
Total Number of EI-B (HITACHI M-52) MS/MS Spectra	11
Total Number of EI-B (HITACHI M-60) MS/MS Spectra	10
Total Number of EI-B (HITACHI M-68) MS/MS Spectra	7
Total Number of EI-B (HITACHI M-80) MS/MS Spectra	55
Total Number of EI-B (HITACHI M-80A) MS/MS Spectra	2
Total Number of EI-B (HITACHI M-80B) MS/MS Spectra	64
Total Number of EI-B (HITACHI RMU-6D) MS/MS Spectra	1
Total Number of EI-B (HITACHI RMU-6E) MS/MS Spectra	7
Total Number of EI-B (HITACHI RMU-6L) MS/MS Spectra	11
Total Number of EI-B (HITACHI RMU-6M) MS/MS Spectra	47
Total Number of EI-B (HITACHI RMU-7) MS/MS Spectra	2
Total Number of EI-B (HITACHI RMU-7L) MS/MS Spectra	1
Total Number of EI-B (HITACHI RMU-7M) MS/MS Spectra	43
Total Number of EI-B (HP 5970) MS/MS Spectra	5
Total Number of EI-B (JEOL JMS-01-SG-2) MS/MS Spectra	9
Total Number of EI-B (JEOL JMS-06-H) MS/MS Spectra	1
Total Number of EI-B (JEOL JMS-AX-505-H) MS/MS Spectra	5
Total Number of EI-B (JEOL JMS-D-300) MS/MS Spectra	2
Total Number of EI-B (JEOL JMS-D-3000) MS/MS Spectra	15
Total Number of EI-B (JEOL JMS-DX-300) MS/MS Spectra	2
Total Number of EI-B (JEOL JMS-HX-100) MS/MS Spectra	1
Total Number of EI-B (MX-1303) MS/MS Spectra	4
Total Number of EI-B (SHIMADZU LKB-9000B) MS/MS Spectra	4
Total Number of EI-B (SHIMADZU QP-1000) MS/MS Spectra	6
Total Number of EI-B (Unknown) MS/MS Spectra	26
Total Number of EI-B (VARIAN MAT-44) MS/MS Spectra	9
Total Number of EI-EBEB (JMS-HX/HX 110A, JEOL) MS/MS Spectra	4
Total Number of ESI-ITFT MS/MS Spectra	267
Total Number of Low Energy ESI-ITFT MS/MS Spectra	2
Total Number of Low Energy ESI-QFT MS/MS Spectra	2
Total Number of ESI-QTOF MS/MS Spectra	1
Total Number of ESI-TOF MS/MS Spectra	2
Total Number of FAB-EBEB (JMS-HX/HX 110A, JEOL) MS/MS Spectra	4
Total Number of FD-B (Unknown) MS/MS Spectra	1
Total Number of Low Energy IT MS/MS Spectra	7
Total Number of LC-APPI-QQ MS/MS Spectra	26
Total Number of LC-APPI-QQ (API2000) MS/MS Spectra	13
Total Number of LC-ESI-Hybrid FT MS/MS Spectra	2
Total Number of LC-ESI-Ion Trap MS/MS Spectra	2
Total Number of LC-ESI-IT MS/MS Spectra	209
Total Number of Low Energy LC-ESI-IT MS/MS Spectra	1
Total Number of LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) MS/MS Spectra	123
Total Number of LC-ESI-ITFT MS/MS Spectra	3,466
Total Number of Low Energy LC-ESI-ITFT MS/MS Spectra	2
Total Number of LC-ESI-ITFT (LTQ Orbitrap XL Thermo Scientific) MS/MS Spectra	1
Total Number of LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) MS/MS Spectra	701
Total Number of LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientific ) MS/MS Spectra	3
Total Number of LC-ESI-ITTOF MS/MS Spectra	13
Total Number of LC-ESI-ITTOF (LCMS-IT-TOF) MS/MS Spectra	19
Total Number of LC-ESI-ITTOF (Shimadzu LC20A-IT-TOFMS) MS/MS Spectra	2
Total Number of LC-ESI-QFT MS/MS Spectra	2,458
Total Number of Low Energy LC-ESI-QFT MS/MS Spectra	1
Total Number of LC-ESI-QIT MS/MS Spectra	126
Total Number of LC-ESI-QIT (4000Q TRAP, Applied Biosystems) MS/MS Spectra	2
Total Number of LC-ESI-QQ MS/MS Spectra	3,097
Total Number of Low Energy LC-ESI-QQ MS/MS Spectra	1
Total Number of LC-ESI-QQ (API3000, Applied Biosystems) MS/MS Spectra	313
Total Number of LC-ESI-QQ (UPLC Waters, Quattro Ultima Pt Micromass) MS/MS Spectra	1
Total Number of LC-ESI-QQQ MS/MS Spectra	1
Total Number of LC-ESI-QTOF MS/MS Spectra	3,385
Total Number of Low Energy LC-ESI-QTOF MS/MS Spectra	32
Total Number of LC-ESI-QTOF (ACQUITY UPLC System, Waters) MS/MS Spectra	2
Total Number of LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) MS/MS Spectra	66
Total Number of LC-ESI-TOF MS/MS Spectra	296
Total Number of Low Energy LC-Q-TOF/MS MS/MS Spectra	1
Total Number of Linear Ion Trap MS/MS Spectra	1,234
Total Number of Low Energy Linear Ion Trap MS/MS Spectra	3
Total Number of MALDI-TOF (Voyager DE-PRO, Applied Biosystems) MS/MS Spectra	7
Total Number of Low Energy n/a MS/MS Spectra	1
Total Number of NA MS/MS Spectra	82
Total Number of Low Energy NA MS/MS Spectra	2
Total Number of Low Energy Orbitrap MS/MS Spectra	1
Total Number of Q Exactive HF MS/MS Spectra	1
Total Number of Low Energy QIT MS/MS Spectra	3
Total Number of QqQ MS/MS Spectra	2
Total Number of Low Energy QqQ MS/MS Spectra	5
Total Number of Low Energy QTOF MS/MS Spectra	1
Total Number of Quattro_QQQ MS/MS Spectra	1
Total Number of High Energy Quattro_QQQ MS/MS Spectra	792
Total Number of Low Energy Quattro_QQQ MS/MS Spectra	811
Total Number of Med Energy Quattro_QQQ MS/MS Spectra	802
Total Number of 13C NMR Spectra	121,568
Total Number of 1H NMR Spectra	122,634
Total Number of [1H,13C] 2D NMR Spectra	896
Total Number of [1H,1H] 2D NMR Spectra	162

Protein Statistics

Description	Count
Total Number of Unique Enzymes	2,126
Total Number of Unique Transporters	0
Total Number of Unique Proteins	8,369
Total Number of Proteins with PDB Accessions	2,036

Reference Statistics

Description	Count
Total Number of References	78,841

Link-out Statistics

Description	Count
ChemSpider links	15,689
PubChem Compound links	17,360
KEGG Compound links	7,228
KEGG Pathways links	426
ChEBI Compound links	6,222
Wikipedia links	5,840