ResponseID	Indicate how strongly you agree or disagree with the following statement: "Metabolomics is proving to be an extremely useful technology."	Which of the following best describes your organization?	Org-Type SubCategory	From your perspective, what is the biggest bottleneck in metabolomics today?	Bottleneck Notes	Which of the following describes your organization's interest in metabolomics?	How long have you or your current research group been practicing or applying metabolomics?	Which of the following techniques do you use to acquire metabolomics data?	GC/MS	LC/MS	CE/MS	NMR	LC/NMR	Technique-Other	Technique-Does not apply	If you are using mass spectromtery for metabolomics, please indicate which type(s)?	SingleQuad	TripQuad	ToF	ToF-NonHyb	ToF-Hyb	IonTrap	Orbitrap	FTICR	SectorMS	MS Type-Other	MS-Type-N/A	Which of the following software applications or databases are you using for metabolite identification/information?	In-house developed	Binbase/SetupX	ChemDB	ChemFinder	ChemSpider	HMDB	KEGG	Knapsack	Lipid MAPS	MDL/ACD	MetaCyc	Metlin	NIST	PubChem	Proprietary software from instrument vendor (please list in OTHER below)	Proprietary software from non-instrument vendor (please list in OTHER below)	XCMS	SW-Other	SW-N/A	Of the following techniques, which do you use currently, or which have you used at some point in conjunction with metabolomics experiments?	Which of the following sample matrices have you used for metabolomics experiments?	Which topics in metabolomics, such as a specific part of the workflow, examples of applications, etc, would you like to see discussed in more detail at this and/or the next ASMS workshop?	What types of software tools are you using for metabolomics data processing?	Open Source	Commercial/Proprietary	In-house produced	SoftwareType-Other	Does not apply
1	4	2-For Profit	Privately Held	2-Assigning biological significance		Basic research or science, Medical Applications (diagnosis or treatment of disease), Technology Development/Enablement (e.g. instrument company or service provider), Food/Nutrition Applications, Plant/Agricultural Applications	5 - 7 years ago	GC/MS, LC/MS	1	1						Single quadrupole, Triple quadrupole, Ion Trap (Linear or 3D), FTICR	1	1				1		1				In-house developed, ChemSpider, HMDB, KEGG, Lipid MAPS, Metlin, NIST, PubChem	1				1	1	1		1			1	1	1						Does not apply	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc), Mammalian primary cells, Mammalian cultured cells (e.g. HeLa HepG2 etc), Plant Tissues (e.g. seeds stems flowers etc)	Unknown ID with NMR. Does anyone actually do this?	In-house produced
2	4	1-Academic	Includes Medical	3-Data processing/reduction		Basic research or science, Medical Applications (diagnosis or treatment of disease)	2 - 4 years ago	GC/MS, NMR	1			1				Triple quadrupole, Time of flight - non-hybrid		1	1	1								In-house developed, KEGG, NIST, PubChem, Proprietary software from instrument vendor (please list in OTHER below), MZMine, MarkerLynx, Chenomx, Statistica,	1						1						1	1	1			1		Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), mRNA measurements (e.g. transcriptomics TLDA TaqMan etc)	Blood Derivatives (e.g. serum or plasma), Urine, Animal Tissues (e.g. brain liver muscle skin etc), Mammalian cultured cells (e.g. HeLa HepG2 etc)	The MS and chromatography ends have been worked out as well as the bulk of the statistical analysis.  The biggest problem is in software for preprocessing/processing of output data.  All packages seem crude to date and this area needs to be addressed in more detail.	Open Source, Commercial/Proprietary
3	4	1-Academic	Includes Medical	8-Data acquisition/throughput		Basic research or science	7 years or more	LC/MS		1						Triple quadrupole, Time of Flight - Hybrid (e.g. qToF IT-TOF etc)		1	1		1							HMDB, Lipid MAPS, MetaCyc, PubChem						1			1		1			1						Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), mRNA measurements (e.g. transcriptomics TLDA TaqMan etc), Classical Protein Quantification (e.g. Western ELISA etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc), Mammalian primary cells, Mammalian cultured cells (e.g. HeLa HepG2 etc)		Commercial/Proprietary
4	3	2-For Profit	Publicly Held	1-Identification of metabolites		Technology Development/Enablement (e.g. instrument company or service provider)	5 - 7 years ago	GC/MS, LC/MS	1	1						Single quadrupole, Time of flight - non-hybrid, Time of Flight - Hybrid (e.g. qToF IT-TOF etc)	1		1	1	1							In-house developed, ChemSpider, HMDB, KEGG, Metlin, NIST, PubChem	1				1	1	1					1	1	1						DNA Sequencing, Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), mRNA measurements (e.g. transcriptomics TLDA TaqMan etc)	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc), Plant Tissues (e.g. seeds stems flowers etc)	Examples of metolomics success stories where metabolomics found a marker or gave insite into a problem where the results were later verified and the information lead to a significant new product or service.	Commercial/Proprietary
5	4	1-Academic	Includes Medical	1-Identification of metabolites		Medical Applications (diagnosis or treatment of disease)	0 - 2 years ago	LC/MS, NMR		1		1				Time of flight - non-hybrid			1	1								Proprietary software from instrument vendor (please list in OTHER below), Proprietary software from non-instrument vendor (please list in OTHER below)															1	1				Does not apply	Blood Derivatives (e.g. serum or plasma), Urine, Fecal Extracts		Commercial/Proprietary
6	2	3-Government	Non-Academic	4-Sample preparation		Basic research or science, Medical Applications (diagnosis or treatment of disease)	Does not apply	Does not apply							1	Does not apply											1	Does not apply																			1	Does not apply	Does not apply	Using of HPLC-MS Triple quadrupole in metabolomics (urine samples). Examples of application in drugs abuse and doping control.	Does not apply
7	4	1-Academic	Includes Medical	1-Identification of metabolites		Basic research or science, Medical Applications (diagnosis or treatment of disease), Technology Development/Enablement (e.g. instrument company or service provider)	2 - 4 years ago	LC/MS, NMR		1		1				Triple quadrupole, Time of flight - non-hybrid, Time of Flight - Hybrid (e.g. qToF IT-TOF etc)		1	1	1	1							HMDB, KEGG, Lipid MAPS, Metlin, Proprietary software from instrument vendor (please list in OTHER below), XCMS, Personal Metlin :)						1	1		1			1			1		1			Does not apply	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc)	I think that as it is the bottleneck of MS metabolomics, MS/MS identification of metabolites and OSS solutions to the problem. Second to that would be assigning biological impact of results for true omics/global profiling data. Also a touch of systems biology with the integration of the different omic technology.	Open Source, In-house produced
8	3	2-For Profit	Publicly Held	2-Assigning biological significance		Medical Applications (diagnosis or treatment of disease)	5 - 7 years ago	LC/MS		1						Time of flight - non-hybrid, Time of Flight - Hybrid (e.g. qToF IT-TOF etc)			1	1	1							In-house developed, ChemSpider, HMDB, KEGG, Lipid MAPS, Metlin, PubChem	1				1	1	1		1			1		1						Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc), Mammalian primary cells		In-house produced
9	3	1-Academic	Includes Medical	1-Identification of metabolites		Basic research or science, Medical Applications (diagnosis or treatment of disease)	5 - 7 years ago	LC/MS		1						Time of Flight - Hybrid (e.g. qToF IT-TOF etc)			1		1							HMDB, PubChem						1								1						Does not apply	Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc)	The best way to prepare and run the sample to be able to detect the widest range of metabolites as possible.	Commercial/Proprietary, In-house produced
10	4	2-For Profit	Publicly Held	1-Identification of metabolites		Plant/Agricultural Applications	5 - 7 years ago	GC/MS, LC/MS	1	1						Time of flight - non-hybrid, FTICR			1	1				1				ChemFinder, ChemSpider, HMDB, KEGG, Knapsack, MetaCyc, NIST, PubChem, Genedata software				1	1	1	1	1			1		1	1				1		Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), mRNA measurements (e.g. transcriptomics TLDA TaqMan etc), Classical Protein Quantification (e.g. Western ELISA etc)	Plant Tissues (e.g. seeds stems flowers etc)		Open Source, Commercial/Proprietary, In-house produced
11	3	1-Academic	Includes Medical	4-Sample preparation		Basic research or science	0 - 2 years ago	GC/MS, LC/MS	1	1						Triple quadrupole, Time of Flight - Hybrid (e.g. qToF IT-TOF etc)		1	1		1							KEGG, MetaCyc, PubChem							1				1			1						Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Animal Tissues (e.g. brain liver muscle skin etc), Mammalian primary cells, Mammalian cultured cells (e.g. HeLa HepG2 etc)		Open Source, Commercial/Proprietary
12	4	2-For Profit	Publicly Held	2-Assigning biological significance		Basic research or science, Medical Applications (diagnosis or treatment of disease)	7 years or more	LC/MS		1						Triple quadrupole, Time of Flight - Hybrid (e.g. qToF IT-TOF etc)		1	1		1							ChemDB, ChemFinder, HMDB, KEGG			1	1		1	1													Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc)	Biomarker Validation  (especially biological validation)	Commercial/Proprietary, In-house produced
13	4	2-For Profit	Privately Held	1-Identification of metabolites		Basic research or science	0 - 2 years ago	LC/MS		1						Time of Flight - Hybrid (e.g. qToF IT-TOF etc)			1		1							ChemSpider, HMDB, KEGG, Lipid MAPS, Metlin, PubChem					1	1	1		1			1		1						Does not apply	Blood Derivatives (e.g. serum or plasma), Animal Tissues (e.g. brain liver muscle skin etc)		Commercial/Proprietary
14	3	1-Academic	Includes Medical	1-Identification of metabolites		Basic research or science, Technology Development/Enablement (e.g. instrument company or service provider), Food/Nutrition Applications, Plant/Agricultural Applications	2 - 4 years ago	GC/MS, LC/MS	1	1						Single quadrupole, Triple quadrupole, Time of flight - non-hybrid	1	1	1	1								In-house developed, ChemSpider, HMDB, KEGG, MetaCyc, Metlin, NIST, PubChem, Proprietary software from instrument vendor (please list in OTHER below), XCMS	1				1	1	1				1	1	1	1	1		1			Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), mRNA measurements (e.g. transcriptomics TLDA TaqMan etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Plant Tissues (e.g. seeds stems flowers etc)	metabolic flux, new approaches for compound identification	Open Source, Commercial/Proprietary, In-house produced
15	1	2-For Profit	Privately Held	7-Validation/Utility Studies		Medical Applications (diagnosis or treatment of disease)	2 - 4 years ago	LC/MS, NMR		1		1				Triple quadrupole		1										Does not apply																			1	Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF)	Thus far, metabolomics has not provided NEW information of value, but we still believe it might do so one day.	Open Source
16	4	1-Academic	Includes Medical	2-Assigning biological significance		Does not apply	Does not apply	Does not apply							1	Does not apply											1	Does not apply																			1	Does not apply	Does not apply		Does not apply
17	4	2-For Profit	Privately Held	2-Assigning biological significance		Basic research or science, Medical Applications (diagnosis or treatment of disease), Food/Nutrition Applications, Plant/Agricultural Applications	7 years or more	GC/MS, LC/MS, NMR	1	1		1				Single quadrupole, Triple quadrupole, Time of Flight - Hybrid (e.g. qToF IT-TOF etc), Ion Trap (Linear or 3D), FTICR	1	1	1		1	1		1				In-house developed	1																			mRNA measurements (e.g. transcriptomics TLDA TaqMan etc)	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc), Mammalian primary cells, Mammalian cultured cells (e.g. HeLa HepG2 etc), Plant Tissues (e.g. seeds stems flowers etc)		Open Source, Commercial/Proprietary, In-house produced
18	4	1-Academic	Includes Medical	8-Data acquisition/throughput		Basic research or science, Medical Applications (diagnosis or treatment of disease), Food/Nutrition Applications	2 - 4 years ago	GC/MS, LC/MS, NMR	1	1		1				Single quadrupole, Triple quadrupole, Orbitrap, FTICR	1	1					1	1				ChemFinder, Lipid MAPS, Metlin, NIST, Proprietary software from instrument vendor (please list in OTHER below), XCMS				1					1			1	1		1		1			DNA Sequencing, Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), mRNA measurements (e.g. transcriptomics TLDA TaqMan etc), Classical Protein Quantification (e.g. Western ELISA etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Animal Tissues (e.g. brain liver muscle skin etc), Mammalian primary cells, Mammalian cultured cells (e.g. HeLa HepG2 etc)	sample prep/fractionation as related to ion supression and multi source analysis.  APCI/ESI/EI	Open Source, Commercial/Proprietary
19	4	4-Non-Profit Org	Non-Government	3-Data processing/reduction		Basic research or science, Medical Applications (diagnosis or treatment of disease)	7 years or more	LC/MS		1						Triple quadrupole		1										KEGG, Lipid MAPS, PubChem, Proprietary software from instrument vendor (please list in OTHER below)							1		1					1	1					Classical Protein Quantification (e.g. Western ELISA etc), proteomics- stable isotope	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Mammalian primary cells	data acquisition and processing strategies	Commercial/Proprietary
20	3	4-Non-Profit Org	Non-Government	2-Assigning biological significance		Basic research or science, Medical Applications (diagnosis or treatment of disease), Technology Development/Enablement (e.g. instrument company or service provider)	2 - 4 years ago	GC/MS	1							Time of flight - non-hybrid			1	1								In-house developed, NIST	1												1							Does not apply	Gas Phase		In-house produced
21	4	1-Academic	Includes Medical	1-Identification of metabolites		Medical Applications (diagnosis or treatment of disease)	2 - 4 years ago	LC/MS		1						Time of Flight - Hybrid (e.g. qToF IT-TOF etc)			1		1							ChemSpider, HMDB, KEGG, Lipid MAPS, Metlin, PubChem					1	1	1		1			1		1						Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), Classical Protein Quantification (e.g. Western ELISA etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Mammalian cultured cells (e.g. HeLa HepG2 etc)	Met ID.	Commercial/Proprietary
22	4	2-For Profit	Publicly Held	6-Statistical analysis		Technology Development/Enablement (e.g. instrument company or service provider)	0 - 2 years ago	LC/MS, MALDI		1						Ion Trap (Linear or 3D), Orbitrap						1	1					Proprietary software from instrument vendor (please list in OTHER below)															1					Does not apply	Animal Tissues (e.g. brain liver muscle skin etc), Plant Tissues (e.g. seeds stems flowers etc)	Open source statistical software packages available.	Commercial/Proprietary, In-house produced
23	1	2-For Profit	Publicly Held	2-Assigning biological significance		Basic research or science, Medical Applications (diagnosis or treatment of disease)	2 - 4 years ago	GC/MS, LC/MS	1	1						Single quadrupole, Triple quadrupole, Ion Trap (Linear or 3D)	1	1				1						Lipid MAPS, Metlin									1			1								Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Urine, Animal Tissues (e.g. brain liver muscle skin etc), Mammalian cultured cells (e.g. HeLa HepG2 etc)		Open Source, Commercial/Proprietary
24	4	1-Academic	Includes Medical	2-Assigning biological significance		Basic research or science, Medical Applications (diagnosis or treatment of disease), Technology Development/Enablement (e.g. instrument company or service provider), Food/Nutrition Applications, Plant/Agricultural Applications	5 - 7 years ago	GC/MS, LC/MS	1	1						Single quadrupole, Time of flight - non-hybrid, Ion Trap (Linear or 3D)	1		1	1		1						Binbase/SetupX, ChemSpider, KEGG, Lipid MAPS, MetaCyc, NIST, PubChem		1			1		1		1		1		1	1						Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), mRNA measurements (e.g. transcriptomics TLDA TaqMan etc), Classical Protein Quantification (e.g. Western ELISA etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc), Mammalian primary cells, Plant Tissues (e.g. seeds stems flowers etc)	1. Visualization of metabolomics results : Proper visualization is an essential requirement of relevant biological interpretation. 2. Machine learning based clustering of mass spectra 3. Identification of unknown metabolites 4. Pathway and reaction databases and its applications to metabolomics	Open Source, Commercial/Proprietary, In-house produced
25	3	1-Academic	Includes Medical	2-Assigning biological significance		Basic research or science, Medical Applications (diagnosis or treatment of disease)	5 - 7 years ago	GC/MS, LC/MS	1	1						Triple quadrupole		1										ChemFinder, Lipid MAPS, NIST, PubChem, XCMS				1					1				1	1			1			DNA Sequencing, Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), mRNA measurements (e.g. transcriptomics TLDA TaqMan etc), Classical Protein Quantification (e.g. Western ELISA etc)	Blood Derivatives (e.g. serum or plasma), Animal Tissues (e.g. brain liver muscle skin etc), Mammalian primary cells, Mammalian cultured cells (e.g. HeLa HepG2 etc)		Open Source, Commercial/Proprietary
26	3	3-Government	Non-Academic	3-Data processing/reduction		Basic research or science, Medical Applications (diagnosis or treatment of disease), Plant/Agricultural Applications	2 - 4 years ago	LC/MS		1						Orbitrap, FTICR							1	1				Lipid MAPS									1											Does not apply	Blood Derivatives (e.g. serum or plasma), Plant Tissues (e.g. seeds stems flowers etc)		Open Source, In-house produced
27	4	1-Academic	Includes Medical	2-Assigning biological significance		Basic research or science, Medical Applications (diagnosis or treatment of disease), Food/Nutrition Applications	2 - 4 years ago	GC/MS, LC/MS	1	1						Time of Flight - Hybrid (e.g. qToF IT-TOF etc)			1		1							HMDB, KEGG, Lipid MAPS, Metlin, NIST, PubChem						1	1		1			1	1	1						Classical Protein Quantification (e.g. Western ELISA etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, Animal Tissues (e.g. brain liver muscle skin etc), Mammalian cultured cells (e.g. HeLa HepG2 etc)	biomarker validation interdisciplinary aspects especially funding issues (despite screaming for more interdisciplinary research, it is almost impossible to convince granting agencies to fund these initiatives - due to protectionism of their member and member networks)	Commercial/Proprietary
28	3	3-Government	Non-Academic	4-Sample preparation		Basic research or science	0 - 2 years ago	LC/MS		1						Triple quadrupole		1										In-house developed	1																			Does not apply	Plant Tissues (e.g. seeds stems flowers etc)		Commercial/Proprietary
29	4	1-Academic	Includes Medical	3-Data processing/reduction		Basic research or science, Medical Applications (diagnosis or treatment of disease), Food/Nutrition Applications	2 - 4 years ago	LC/MS		1						FTICR								1				In-house developed, ChemSpider, HMDB, KEGG, Metlin	1				1	1	1					1								Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), Classical Protein Quantification (e.g. Western ELISA etc)	Blood Derivatives (e.g. serum or plasma), Urine, Animal Tissues (e.g. brain liver muscle skin etc), Mammalian cultured cells (e.g. HeLa HepG2 etc)		Open Source, Commercial/Proprietary, In-house produced
30	2	1-Academic	Includes Medical	3-Data processing/reduction		Basic research or science, Medical Applications (diagnosis or treatment of disease)	0 - 2 years ago	GC/MS, LC/MS	1	1						Time of flight - non-hybrid, Time of Flight - Hybrid (e.g. qToF IT-TOF etc)			1	1	1							XCMS																	1			Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Cerebrospinal Fluid (CSF)	Reducing background for GCMS	Open Source, In-house produced
31	3	1-Academic	Includes Medical	4-Sample preparation		Basic research or science, Medical Applications (diagnosis or treatment of disease)	0 - 2 years ago	LC/MS		1						Triple quadrupole, Time of flight - non-hybrid		1	1	1								ChemSpider, HMDB, KEGG, Metlin					1	1	1					1								Classical Protein Quantification (e.g. Western ELISA etc)	Blood Derivatives (e.g. serum or plasma), Urine		Commercial/Proprietary
32	3	1-Academic	Includes Medical	2-Assigning biological significance		Medical Applications (diagnosis or treatment of disease)	2 - 4 years ago	GC/MS, LC/MS, NMR	1	1		1				Ion Trap (Linear or 3D), FTICR, isotope ratio MS						1		1		1		In-house developed	1																			Does not apply	Blood Derivatives (e.g. serum or plasma), Mammalian cultured cells (e.g. HeLa HepG2 etc)		Commercial/Proprietary, In-house produced
33	3	1-Academic	Includes Medical	1-Identification of metabolites		Basic research or science, Medical Applications (diagnosis or treatment of disease), Technology Development/Enablement (e.g. instrument company or service provider)	5 - 7 years ago	GC/MS, LC/MS	1	1						Single quadrupole	1											KEGG							1													mRNA measurements (e.g. transcriptomics TLDA TaqMan etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, Animal Tissues (e.g. brain liver muscle skin etc), Mammalian primary cells, Mammalian cultured cells (e.g. HeLa HepG2 etc)		Commercial/Proprietary, In-house produced
34	4	3-Government	Non-Academic	3-Data processing/reduction		Basic research or science, Food/Nutrition Applications, Plant/Agricultural Applications	7 years or more	GC/MS, LC/MS	1	1						Ion Trap (Linear or 3D)						1						In-house developed, KEGG, NIST	1						1						1							DNA Sequencing, Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), mRNA measurements (e.g. transcriptomics TLDA TaqMan etc)	Urine, Animal Tissues (e.g. brain liver muscle skin etc), Plant Tissues (e.g. seeds stems flowers etc)		Open Source, In-house produced
35	4	1-Academic	Includes Medical	1-Identification of metabolites		Basic research or science, Medical Applications (diagnosis or treatment of disease), Technology Development/Enablement (e.g. instrument company or service provider)	2 - 4 years ago	LC/MS		1						Time of flight - non-hybrid			1	1								In-house developed, HMDB, KEGG, Metlin, XCMS	1					1	1					1					1			Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc)	Blood Derivatives (e.g. serum or plasma), Urine, Animal Tissues (e.g. brain liver muscle skin etc), Mammalian cultured cells (e.g. HeLa HepG2 etc), Plant Tissues (e.g. seeds stems flowers etc)		Open Source, In-house produced
36	4	1-Academic	Includes Medical	2-Assigning biological significance		Basic research or science, Medical Applications (diagnosis or treatment of disease), Food/Nutrition Applications	0 - 2 years ago	GC/MS, LC/MS	1	1						Triple quadrupole		1										ChemDB, KEGG, NIST, Proprietary software from instrument vendor (please list in OTHER below)			1				1						1		1					DNA Sequencing, mRNA measurements (e.g. transcriptomics TLDA TaqMan etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Animal Tissues (e.g. brain liver muscle skin etc), bacteria		Commercial/Proprietary
37	4	1-Academic	Includes Medical	1-Identification of metabolites		Basic research or science	7 years or more	GC/MS	1							Single quadrupole	1											NIST													1							Does not apply	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc), Mammalian cultured cells (e.g. HeLa HepG2 etc), Plant Tissues (e.g. seeds stems flowers etc)		In-house produced
38	4	2-For Profit	Publicly Held	2-Assigning biological significance		Technology Development/Enablement (e.g. instrument company or service provider), Plant/Agricultural Applications	5 - 7 years ago	GC/MS, LC/MS	1	1						Time of Flight - Hybrid (e.g. qToF IT-TOF etc)			1		1							ChemDB, KEGG, Lipid MAPS, MDL/ACD, NIST, PubChem			1				1		1	1			1	1						Does not apply	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc), Plant Tissues (e.g. seeds stems flowers etc)	Especially interested in seeing what approches people are using to obtained identities of the markers that were identified as the result of statistical analysis, especially if they are unknown markers.  I think this is the bottleneck, really want to have a good understanding about this.	Open Source, Commercial/Proprietary
39	3	1-Academic	Includes Medical	1-Identification of metabolites		Basic research or science, Medical Applications (diagnosis or treatment of disease), Technology Development/Enablement (e.g. instrument company or service provider), Food/Nutrition Applications, Plant/Agricultural Applications	5 - 7 years ago	GC/MS, LC/MS	1	1						Single quadrupole, Time of flight - non-hybrid, Ion Trap (Linear or 3D), FTICR	1		1	1		1		1				Binbase/SetupX, ChemSpider, HMDB, KEGG, Knapsack, Lipid MAPS, MetaCyc, NIST, PubChem, XCMS, mzmine2		1			1	1	1	1	1		1		1	1			1	1		Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc), Mammalian primary cells, Plant Tissues (e.g. seeds stems flowers etc)	* Data sharing and aggregation of experimental results	Open Source, Commercial/Proprietary, In-house produced
40	4	1-Academic	Includes Medical	5-No opinion		Basic research or science, Medical Applications (diagnosis or treatment of disease), Plant/Agricultural Applications	0 - 2 years ago	LC/MS		1						Time of Flight - Hybrid (e.g. qToF IT-TOF etc)			1		1							Does not apply																			1	Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Plant Tissues (e.g. seeds stems flowers etc)		Open Source
41	1	2-For Profit	Privately Held	1-Identification of metabolites		Basic research or science, Medical Applications (diagnosis or treatment of disease), Technology Development/Enablement (e.g. instrument company or service provider), Food/Nutrition Applications, Plant/Agricultural Applications	2 - 4 years ago	GC/MS, LC/MS, CE/MS	1	1	1					Single quadrupole, Triple quadrupole, Time of flight - non-hybrid, Time of Flight - Hybrid (e.g. qToF IT-TOF etc)	1	1	1	1	1							In-house developed, ChemSpider, KEGG, Metlin, NIST, PubChem, Proprietary software from instrument vendor (please list in OTHER below), GeneSpring MS, Mass Profiler both from Agilent	1				1		1					1	1	1	1			1		mRNA measurements (e.g. transcriptomics TLDA TaqMan etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc), Mammalian cultured cells (e.g. HeLa HepG2 etc), Plant Tissues (e.g. seeds stems flowers etc)	Excellent Questions in this survey.  Breaking the workflow into discovery, statistical analysis, identification, verification, clinical, etc. is very helpful.  Highlighting diversity of instrumentation and informatics required at each step and integration through these steps is critical. Good Luck...  Also, our expert in Metabolomics is Steve Fischer, Agilent Tehcnologies.  He would be an excellent chair to assist in organizing the workshop you are suggesting.	Commercial/Proprietary, In-house produced
42	2	1-Academic	Includes Medical	4-Sample preparation		Basic research or science, Technology Development/Enablement (e.g. instrument company or service provider)	Does not apply	Does not apply							1	Triple quadrupole		1										Does not apply																			1	Does not apply	Plant Tissues (e.g. seeds stems flowers etc)	discrimination occurring during extraction techniques over reliance on ESI LCMS New ionization techniques and approaches	Does not apply
43	4	1-Academic	Includes Medical	1-Identification of metabolites		Basic research or science, Medical Applications (diagnosis or treatment of disease), Technology Development/Enablement (e.g. instrument company or service provider)	7 years or more	LC/MS		1						Triple quadrupole, Time of flight - non-hybrid, Time of Flight - Hybrid (e.g. qToF IT-TOF etc), FTICR		1	1	1	1			1				HMDB, KEGG, Lipid MAPS, Metlin, XCMS						1	1		1			1					1			Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), mRNA measurements (e.g. transcriptomics TLDA TaqMan etc), Classical Protein Quantification (e.g. Western ELISA etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc), Mammalian primary cells, Mammalian cultured cells (e.g. HeLa HepG2 etc)	metabolite identification	Open Source, In-house produced
44	4	1-Academic	Includes Medical	7-Validation/Utility Studies		Basic research or science, Medical Applications (diagnosis or treatment of disease)	0 - 2 years ago	LC/MS, GCxGC/MS	1	1				1		Time of flight - non-hybrid, FTICR			1	1				1				In-house developed, NIST	1												1							Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma)		In-house produced
45	4	3-Government	Non-Academic	1-Identification of metabolites		SRM	0 - 2 years ago	GC/MS, GCxGC/TOFMS	1					1		Time of flight - non-hybrid			1	1								NIST													1							Does not apply	Blood Derivatives (e.g. serum or plasma)		Commercial/Proprietary
46	3	1-Academic	Includes Medical	1-Identification of metabolites		Basic research or science	0 - 2 years ago	LC/MS		1						Time of Flight - Hybrid (e.g. qToF IT-TOF etc)			1		1							Does not apply																			1	Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Animal Tissues (e.g. brain liver muscle skin etc)		Open Source
47	4	2-For Profit	Publicly Held	8-Data acquisition/throughput		Basic research or science, Medical Applications (diagnosis or treatment of disease), Technology Development/Enablement (e.g. instrument company or service provider), Food/Nutrition Applications, Plant/Agricultural Applications	5 - 7 years ago	GC/MS, LC/MS	1	1						Triple quadrupole, Time of flight - non-hybrid, Time of Flight - Hybrid (e.g. qToF IT-TOF etc)		1	1	1	1							In-house developed, ChemSpider, NIST, Proprietary software from instrument vendor (please list in OTHER below)	1				1								1		1					Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc), Mammalian cultured cells (e.g. HeLa HepG2 etc), Plant Tissues (e.g. seeds stems flowers etc)		Commercial/Proprietary, In-house produced
48	4	2-For Profit	Privately Held	2-Assigning biological significance		Basic research or science, Medical Applications (diagnosis or treatment of disease)	0 - 2 years ago	LC/MS		1						Time of flight - non-hybrid			1	1								In-house developed, ChemDB, HMDB, Metlin	1		1			1						1								Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma)	reproducibility of the results	Does not apply, In-house produced
49	3	1-Academic	Includes Medical	1-Identification of metabolites		Basic research or science, Medical Applications (diagnosis or treatment of disease)	0 - 2 years ago	LC/MS		1						Triple quadrupole, Time of flight - non-hybrid		1	1	1								ChemFinder, HMDB, Proprietary software from instrument vendor (please list in OTHER below), MassHunter Profiler				1		1									1			1		Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Animal Tissues (e.g. brain liver muscle skin etc)	labelling methods software for processing	Open Source, Commercial/Proprietary
50	4	1-Academic	Includes Medical	2-Assigning biological significance		Basic research or science, Medical Applications (diagnosis or treatment of disease)	5 - 7 years ago	GC/MS, LC/MS, CE/MS	1	1	1					Triple quadrupole, Time of Flight - Hybrid (e.g. qToF IT-TOF etc)		1	1		1							In-house developed	1																			DNA Sequencing, Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), mRNA measurements (e.g. transcriptomics TLDA TaqMan etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Mammalian primary cells, Mammalian cultured cells (e.g. HeLa HepG2 etc), Plant Tissues (e.g. seeds stems flowers etc), microbes		Commercial/Proprietary, In-house produced
51	4	2-For Profit	Publicly Held	3-Data processing/reduction		Basic research or science, Technology Development/Enablement (e.g. instrument company or service provider)	2 - 4 years ago	GC/MS, LC/MS, CE/MS	1	1	1					Triple quadrupole, Time of flight - non-hybrid, Time of Flight - Hybrid (e.g. qToF IT-TOF etc)		1	1	1	1							Metlin, Proprietary software from instrument vendor (please list in OTHER below), GeneSpring MS												1			1			1		DNA Sequencing, mRNA measurements (e.g. transcriptomics TLDA TaqMan etc), Classical Protein Quantification (e.g. Western ELISA etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc), Mammalian primary cells, Mammalian cultured cells (e.g. HeLa HepG2 etc), Plant Tissues (e.g. seeds stems flowers etc)	Sample prep. Bioinformatics.	Commercial/Proprietary
52	4	2-For Profit	Publicly Held	2-Assigning biological significance		Medical Applications (diagnosis or treatment of disease)	Does not apply	GC/MS, LC/MS, CE/MS	1	1	1					Triple quadrupole, Time of flight - non-hybrid, Time of Flight - Hybrid (e.g. qToF IT-TOF etc), Ion Trap (Linear or 3D)		1	1	1	1	1						In-house developed, ChemSpider, KEGG, Lipid MAPS, Metlin, NIST, PubChem	1				1		1		1			1	1	1						Does not apply	Blood Derivatives (e.g. serum or plasma), Urine, Plant Tissues (e.g. seeds stems flowers etc)		Commercial/Proprietary
53	3	2-For Profit	Publicly Held	1-Identification of metabolites		Basic research or science, Technology Development/Enablement (e.g. instrument company or service provider)	0 - 2 years ago	LC/MS, LC/NMR		1		1	1			Triple quadrupole, Ion Trap (Linear or 3D)		1				1						Does not apply																			1	Does not apply	Blood Derivatives (e.g. serum or plasma), Urine, Animal Tissues (e.g. brain liver muscle skin etc), Mammalian cultured cells (e.g. HeLa HepG2 etc)	Practical problem solving. HT data processing	Open Source, Commercial/Proprietary
54	3	1-Academic	Includes Medical	3-Data processing/reduction		Basic research or science, Medical Applications (diagnosis or treatment of disease)	5 - 7 years ago	LC/MS		1						Triple quadrupole, Ion Trap (Linear or 3D), FTICR		1				1		1				ChemSpider, HMDB, XCMS					1	1											1			Does not apply	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc)	High throughput data analysis	Open Source, Commercial/Proprietary
55	4	1-Academic	Includes Medical	2-Assigning biological significance		Basic research or science	5 - 7 years ago	LC/MS		1						Triple quadrupole, Orbitrap		1					1					In-house developed, KEGG, MetaCyc	1						1				1									Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), mRNA measurements (e.g. transcriptomics TLDA TaqMan etc)	Yeast Cellular Extract	I would be interested in hearing more detailed discussion regarding matrix effects (i.e. ion suppression). Furthermore a discussion on utilizing alternative chromatographic methods (aside from C18-RP) may prove useful.	In-house produced
56	4	4-Non-Profit Org	Non-Government	1-Identification of metabolites		Basic research or science, Plant/Agricultural Applications	0 - 2 years ago	GC/MS, LC/MS	1	1						Triple quadrupole, Time of Flight - Hybrid (e.g. qToF IT-TOF etc), 4000 QTRAP		1	1		1							Metlin, NIST												1	1							Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Plant Tissues (e.g. seeds stems flowers etc)		Commercial/Proprietary
57	3	2-For Profit	Privately Held	1-Identification of metabolites		Medical Applications (diagnosis or treatment of disease), Food/Nutrition Applications, Plant/Agricultural Applications	5 - 7 years ago	GC/MS, LC/MS	1	1						Triple quadrupole, Ion Trap (Linear or 3D), FTICR		1				1		1				In-house developed, ChemSpider, HMDB, KEGG	1				1	1	1													Does not apply	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc), Mammalian primary cells, Mammalian cultured cells (e.g. HeLa HepG2 etc), Plant Tissues (e.g. seeds stems flowers etc)		In-house produced
58	4	1-Academic	Includes Medical	2-Assigning biological significance		Basic research or science	0 - 2 years ago	LC/MS		1						Time of flight - non-hybrid			1	1								ChemSpider, KEGG, Metlin, PubChem, Proprietary software from instrument vendor (please list in OTHER below)					1		1					1		1	1					Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, Animal Tissues (e.g. brain liver muscle skin etc), Mammalian cultured cells (e.g. HeLa HepG2 etc)	untargeted metapolite profiling	Commercial/Proprietary
59	4	1-Academic	Includes Medical	5-No opinion		Technology Development/Enablement (e.g. instrument company or service provider)	0 - 2 years ago	GC/MS, LC/MS	1	1						Triple quadrupole		1										Does not apply																			1	Does not apply	Blood Derivatives (e.g. serum or plasma), Animal Tissues (e.g. brain liver muscle skin etc)		Does not apply
60	2	2-For Profit	Publicly Held	1-Identification of metabolites		Medical Applications (diagnosis or treatment of disease)	2 - 4 years ago	LC/MS		1						Orbitrap							1					HMDB, KEGG, Metlin						1	1					1								Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), mRNA measurements (e.g. transcriptomics TLDA TaqMan etc)	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc), Mammalian primary cells, Mammalian cultured cells (e.g. HeLa HepG2 etc)	metabolite annotation ways to prove biological significance	Commercial/Proprietary, In-house produced
61	4	1-Academic	Includes Medical	1-Identification of metabolites		Basic research or science, Medical Applications (diagnosis or treatment of disease)	5 - 7 years ago	LC/MS		1						Time of Flight - Hybrid (e.g. qToF IT-TOF etc), Orbitrap			1		1		1					In-house developed, ChemSpider, HMDB, KEGG, MetaCyc, Metlin, NIST, PubChem, Proprietary software from instrument vendor (please list in OTHER below)	1				1	1	1				1	1	1	1	1					Does not apply	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF)		Open Source, Commercial/Proprietary, In-house produced
62	3	2-For Profit	Privately Held	9-Other	Collection of valid, fit to purpose, unbiased sample sets	Medical Applications (diagnosis or treatment of disease)	2 - 4 years ago	LC/MS		1						Time of flight - non-hybrid			1	1								ChemSpider, HMDB, Metlin					1	1						1								label-free relative quantification of small molecule metabolite	Blood Derivatives (e.g. serum or plasma)	Reproducibility in the generation of data	Open Source, Commercial/Proprietary, In-house produced
63	4	2-For Profit	Publicly Held	1-Identification of metabolites		Basic research or science, Medical Applications (diagnosis or treatment of disease), Technology Development/Enablement (e.g. instrument company or service provider), Food/Nutrition Applications, Plant/Agricultural Applications	2 - 4 years ago	GC/MS, LC/MS	1	1						Triple quadrupole, Time of flight - non-hybrid, Time of Flight - Hybrid (e.g. qToF IT-TOF etc)		1	1	1	1							In-house developed, ChemSpider, HMDB, KEGG, Lipid MAPS, MetaCyc, Metlin, NIST, PubChem	1				1	1	1		1		1	1	1	1						Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), mRNA measurements (e.g. transcriptomics TLDA TaqMan etc), Classical Protein Quantification (e.g. Western ELISA etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, Animal Tissues (e.g. brain liver muscle skin etc), Mammalian cultured cells (e.g. HeLa HepG2 etc), Plant Tissues (e.g. seeds stems flowers etc)	Data processing workflows to minimize false positive/negatives; Databases and standards; Novel separation techniques for polar metabolites	In-house produced
64	4	1-Academic	Includes Medical	3-Data processing/reduction		Basic research or science, Plant/Agricultural Applications	0 - 2 years ago	GC/MS, LC/MS	1	1						Single quadrupole, Triple quadrupole	1	1										Proprietary software from instrument vendor (please list in OTHER below)															1					Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc)	Plant Tissues (e.g. seeds stems flowers etc)		Commercial/Proprietary
65	3	2-For Profit	Privately Held	6-Statistical analysis		Plant/Agricultural Applications	5 - 7 years ago	GC/MS	1							Time of flight - non-hybrid			1	1								NIST, Proprietary software from non-instrument vendor (please list in OTHER below), Golm db													1			1		1		Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc)	Plant Tissues (e.g. seeds stems flowers etc)		Commercial/Proprietary, In-house produced
66	3	1-Academic	Includes Medical	8-Data acquisition/throughput		Basic research or science, Medical Applications (diagnosis or treatment of disease)	7 years or more	LC/MS		1						Triple quadrupole, Ion Trap (Linear or 3D)		1				1						In-house developed, PubChem	1													1						Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc)	Blood Derivatives (e.g. serum or plasma), Urine, Animal Tissues (e.g. brain liver muscle skin etc), Mammalian cultured cells (e.g. HeLa HepG2 etc)	1) Focused lipid analysis 2) Acylcarnitines 3) Acylglycines 4) Urinary Organic Acids 5) Amino Acids	Open Source, In-house produced
67	3	3-Government	Non-Academic	7-Validation/Utility Studies		Medical Applications (diagnosis or treatment of disease), Technology Development/Enablement (e.g. instrument company or service provider)	0 - 2 years ago	GC/MS, LC/MS, NMR	1	1		1				Single quadrupole, Time of flight - non-hybrid, Ion Trap (Linear or 3D)	1		1	1		1						NIST, PubChem, XCMS													1	1			1			Does not apply	Blood Derivatives (e.g. serum or plasma)		Open Source, Commercial/Proprietary, In-house produced
68	4	3-Government	Non-Academic	5-No opinion		Basic research or science	0 - 2 years ago	LC/MS, NMR		1		1				Triple quadrupole, Time of Flight - Hybrid (e.g. qToF IT-TOF etc), Ion Trap (Linear or 3D), Orbitrap		1	1		1	1	1					Does not apply																			1	Classical Protein Quantification (e.g. Western ELISA etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Does not apply	latest techniques and workflows, biggest pitfalls in the field. quick intro for newcomers to metabolomics	Does not apply
69	4	1-Academic	Includes Medical	1-Identification of metabolites		Basic research or science, Medical Applications (diagnosis or treatment of disease)	0 - 2 years ago	LC/MS		1						Triple quadrupole, Time of flight - non-hybrid, Time of Flight - Hybrid (e.g. qToF IT-TOF etc)		1	1	1	1							ChemSpider, KEGG, Metlin, PubChem, XCMS					1		1					1		1			1			Classical Protein Quantification (e.g. Western ELISA etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, Animal Tissues (e.g. brain liver muscle skin etc), Mammalian primary cells, Mammalian cultured cells (e.g. HeLa HepG2 etc)		Commercial/Proprietary
70	4	1-Academic	Includes Medical	1-Identification of metabolites		Basic research or science	0 - 2 years ago	LC/MS		1						Time of Flight - Hybrid (e.g. qToF IT-TOF etc)			1		1							Metlin												1								Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), mRNA measurements (e.g. transcriptomics TLDA TaqMan etc)	Blood Derivatives (e.g. serum or plasma), Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc)	Sample Preperation, metabolite identification, and softwares	Commercial/Proprietary
71	4	1-Academic	Includes Medical	7-Validation/Utility Studies		Basic research or science	7 years or more	LC/MS		1						Triple quadrupole		1										Lipid MAPS									1											Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc)	Blood Derivatives (e.g. serum or plasma), Urine, Animal Tissues (e.g. brain liver muscle skin etc)		Commercial/Proprietary
72	3	2-For Profit	Publicly Held	5-No opinion		Basic research or science	0 - 2 years ago	Does not apply							1	Does not apply											1	Does not apply																			1	Classical Protein Quantification (e.g. Western ELISA etc)	Mammalian cultured cells (e.g. HeLa HepG2 etc)		Does not apply
73	3	1-Academic	Includes Medical	5-No opinion		Basic research or science	0 - 2 years ago	CE/MS, NMR			1	1				Orbitrap							1					Does not apply																			1	Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Plant Tissues (e.g. seeds stems flowers etc)		Open Source, In-house produced
74	3	1-Academic	Includes Medical	2-Assigning biological significance		Basic research or science	0 - 2 years ago	LC/MS		1						Triple quadrupole, Time of Flight - Hybrid (e.g. qToF IT-TOF etc), FTICR		1	1		1			1				In-house developed, HMDB, KEGG, Lipid MAPS, XCMS	1					1	1		1								1			Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc)		In-house produced
75	3	1-Academic	Includes Medical	5-No opinion		Basic research or science	0 - 2 years ago	CE/MS, NMR			1	1				Orbitrap							1					Does not apply																			1	Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Plant Tissues (e.g. seeds stems flowers etc)		Open Source, In-house produced
76	4	2-For Profit	Privately Held	1-Identification of metabolites		Technology Development/Enablement (e.g. instrument company or service provider)	0 - 2 years ago	LC/MS		1						Time of Flight - Hybrid (e.g. qToF IT-TOF etc)			1		1							In-house developed	1																			Does not apply	Mammalian primary cells		In-house produced
77	4	2-For Profit	Privately Held	2-Assigning biological significance		Basic research or science	5 - 7 years ago	LC/MS		1						Triple quadrupole, Time of Flight - Hybrid (e.g. qToF IT-TOF etc), Orbitrap		1	1		1		1					Does not apply																			1	Does not apply	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc), fermentation		In-house produced
78	4	1-Academic	Includes Medical	1-Identification of metabolites		Basic research or science, Medical Applications (diagnosis or treatment of disease), Plant/Agricultural Applications	7 years or more	GC/MS, LC/MS	1	1						Triple quadrupole, Time of flight - non-hybrid, Ion Trap (Linear or 3D), FTICR		1	1	1		1		1				Binbase/SetupX, ChemFinder, KEGG, Lipid MAPS, Metlin, NIST, PubChem, Proprietary software from instrument vendor (please list in OTHER below), XCMS		1		1			1		1			1	1	1	1		1			Does not apply	Blood Derivatives (e.g. serum or plasma), Urine, Animal Tissues (e.g. brain liver muscle skin etc), Mammalian cultured cells (e.g. HeLa HepG2 etc), Plant Tissues (e.g. seeds stems flowers etc)	metabolite identification/information	Open Source, Commercial/Proprietary, In-house produced
79	4	1-Academic	Includes Medical	5-No opinion		Basic research or science	2 - 4 years ago	LC/MS		1						Single quadrupole, Time of flight - non-hybrid, Time of Flight - Hybrid (e.g. qToF IT-TOF etc)	1		1	1	1							Metlin												1								Does not apply	Blood Derivatives (e.g. serum or plasma), Urine, Saliva	Techniques for efficient separation and identification of hydrophilic metabolites	Commercial/Proprietary
80	4	1-Academic	Includes Medical	3-Data processing/reduction		Basic research or science	0 - 2 years ago	GC/MS	1							Time of flight - non-hybrid, Time of Flight - Hybrid (e.g. qToF IT-TOF etc)			1	1	1							In-house developed	1																			DNA Sequencing, Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), mRNA measurements (e.g. transcriptomics TLDA TaqMan etc), Classical Protein Quantification (e.g. Western ELISA etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Plant Tissues (e.g. seeds stems flowers etc)		In-house produced
81	3	1-Academic	Includes Medical	1-Identification of metabolites		Basic research or science, Medical Applications (diagnosis or treatment of disease)	7 years or more	GC/MS, LC/MS	1	1						Triple quadrupole, Time of Flight - Hybrid (e.g. qToF IT-TOF etc), Ion Trap (Linear or 3D)		1	1		1	1						In-house developed, KEGG, Lipid MAPS	1						1		1											Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc), Mammalian cultured cells (e.g. HeLa HepG2 etc)		Commercial/Proprietary
82	3	2-For Profit	Publicly Held	1-Identification of metabolites		Basic research or science, Medical Applications (diagnosis or treatment of disease)	7 years or more	GC/MS, LC/MS, NMR	1	1		1				Orbitrap							1					In-house developed, HMDB, KEGG, Lipid MAPS, Metlin, NIST, http://mmcd.nmrfam.wisc.edu/	1					1	1		1			1	1					1		Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), mRNA measurements (e.g. transcriptomics TLDA TaqMan etc)	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc), Mammalian cultured cells (e.g. HeLa HepG2 etc)	In general, assignment of LC-MS and GC-MS features and evaluating "confidence-in-assignment" parameters.	Open Source, Commercial/Proprietary, In-house produced
83	3	1-Academic	Includes Medical	2-Assigning biological significance		Basic research or science, Medical Applications (diagnosis or treatment of disease), Technology Development/Enablement (e.g. instrument company or service provider)	2 - 4 years ago	GC/MS, LC/MS	1	1						Triple quadrupole, Time of flight - non-hybrid, Time of Flight - Hybrid (e.g. qToF IT-TOF etc), FTICR		1	1	1	1			1				HMDB, KEGG, Lipid MAPS, Metlin, NIST, PubChem, XCMS						1	1		1			1	1	1			1			Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), mRNA measurements (e.g. transcriptomics TLDA TaqMan etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc)		Open Source
84	3	1-Academic	Includes Medical	3-Data processing/reduction		Medical Applications (diagnosis or treatment of disease), Food/Nutrition Applications	7 years or more	GC/MS, LC/MS	1	1						Single quadrupole, Triple quadrupole, Ion Trap (Linear or 3D), Magnetic/Electric Sector	1	1				1			1			KEGG, NIST							1						1							mRNA measurements (e.g. transcriptomics TLDA TaqMan etc), Classical Protein Quantification (e.g. Western ELISA etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc), human tissues	Complex sample preparation Bioinformatics Pathway integration/interaction among metabolites	Open Source
85	3	2-For Profit	Publicly Held	3-Data processing/reduction		Basic research or science, Medical Applications (diagnosis or treatment of disease)	2 - 4 years ago	LC/MS		1						Triple quadrupole, Ion Trap (Linear or 3D)		1				1						In-house developed	1																			mRNA measurements (e.g. transcriptomics TLDA TaqMan etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Cerebrospinal Fluid (CSF), Animal Tissues (e.g. brain liver muscle skin etc), Mammalian cultured cells (e.g. HeLa HepG2 etc)		In-house produced
86	4	1-Academic	Includes Medical	1-Identification of metabolites		Basic research or science, Medical Applications (diagnosis or treatment of disease), Technology Development/Enablement (e.g. instrument company or service provider), Plant/Agricultural Applications	7 years or more	GC/MS, LC/MS	1	1						Triple quadrupole, Time of flight - non-hybrid, Time of Flight - Hybrid (e.g. qToF IT-TOF etc), Ion Trap (Linear or 3D)		1	1	1	1	1						In-house developed, ChemFinder, ChemSpider, KEGG, Knapsack, Lipid MAPS, MetaCyc, Metlin, NIST, PubChem	1			1	1		1	1	1		1	1	1	1						DNA Sequencing, Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), mRNA measurements (e.g. transcriptomics TLDA TaqMan etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, Animal Tissues (e.g. brain liver muscle skin etc), Mammalian cultured cells (e.g. HeLa HepG2 etc), Plant Tissues (e.g. seeds stems flowers etc)	metabolite identification and metabolite standards	Open Source, Commercial/Proprietary, In-house produced
87	3	1-Academic	Includes Medical	1-Identification of metabolites		Medical Applications (diagnosis or treatment of disease)	Does not apply	Does not apply							1	Does not apply											1	Does not apply																			1	Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Does not apply		Does not apply
88	3	3-Government	Non-Academic	7-Validation/Utility Studies		Basic research or science, Medical Applications (diagnosis or treatment of disease), Food/Nutrition Applications	5 - 7 years ago	GC/MS, LC/MS, NMR	1	1		1				Single quadrupole, Triple quadrupole, Time of Flight - Hybrid (e.g. qToF IT-TOF etc)	1	1	1		1							Proprietary software from instrument vendor (please list in OTHER below), waters															1			1		DNA Sequencing, mRNA measurements (e.g. transcriptomics TLDA TaqMan etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine	personalized nutrition and medicine applications	Commercial/Proprietary
89	3	1-Academic	Includes Medical	2-Assigning biological significance		Basic research or science, Medical Applications (diagnosis or treatment of disease)	5 - 7 years ago	LC/MS		1						Triple quadrupole, Time of flight - non-hybrid, Orbitrap, FTICR		1	1	1			1	1				Does not apply																			1	Classical Protein Quantification (e.g. Western ELISA etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Does not apply		Commercial/Proprietary
90	3	2-For Profit	Privately Held	1-Identification of metabolites		Technology Development/Enablement (e.g. instrument company or service provider)	0 - 2 years ago	GC/MS, LC/MS	1	1						Single quadrupole, Triple quadrupole	1	1										NIST													1							Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc)	bacteria		Does not apply
91	3	1-Academic	Includes Medical	9-Other	all	Basic research or science, Technology Development/Enablement (e.g. instrument company or service provider)	0 - 2 years ago	GC/MS, LC/MS	1	1						Triple quadrupole, Time of flight - non-hybrid		1	1	1								NIST													1							Does not apply	bacteria	sample prep, efficient workflow - instrument and software, issues with the metabolomics facilities vs. individual groups	In-house produced
92	4	1-Academic	Includes Medical	3-Data processing/reduction		Basic research or science, Medical Applications (diagnosis or treatment of disease), Food/Nutrition Applications, Plant/Agricultural Applications	0 - 2 years ago	LC/MS, CE/MS		1	1					Time of Flight - Hybrid (e.g. qToF IT-TOF etc), Ion Trap (Linear or 3D), Orbitrap			1		1	1	1					In-house developed, ChemDB, KEGG, PubChem	1		1				1							1						Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, cultured parasites		Commercial/Proprietary, In-house produced
93	3	2-For Profit	Publicly Held	1-Identification of metabolites		Basic research or science	0 - 2 years ago	LC/MS		1						Ion Trap (Linear or 3D)						1						Does not apply																			1	PK	S9	examples of applications	Commercial/Proprietary
94	3	1-Academic	Includes Medical	1-Identification of metabolites		Basic research or science, Plant/Agricultural Applications	2 - 4 years ago	GC/MS, LC/MS	1	1						Single quadrupole, Ion Trap (Linear or 3D), Orbitrap	1					1	1					In-house developed, ChemFinder, ChemSpider, KEGG, MetaCyc, NIST, PubChem, Proprietary software from instrument vendor (please list in OTHER below)	1			1	1		1				1		1	1	1					Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc)	Plant Tissues (e.g. seeds stems flowers etc)	examples of applications	Open Source, Commercial/Proprietary, In-house produced
95	4	1-Academic	Includes Medical	3-Data processing/reduction		Basic research or science, Plant/Agricultural Applications	0 - 2 years ago	LC/MS		1						Time of Flight - Hybrid (e.g. qToF IT-TOF etc), Orbitrap			1		1		1					Metlin, NIST, PubChem												1	1	1						Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Urine, Plant Tissues (e.g. seeds stems flowers etc)		Open Source, In-house produced
96	2	2-For Profit	Privately Held	2-Assigning biological significance		Technology Development/Enablement (e.g. instrument company or service provider)	0 - 2 years ago	GC/MS, LC/MS	1	1						Single quadrupole, Time of Flight - Hybrid (e.g. qToF IT-TOF etc)	1		1		1							ChemFinder, ChemSpider, KEGG, Lipid MAPS, XCMS				1	1		1		1								1			Genetically modified organisms (e.g. clones knockouts knock-ins RNAi transduced/transfected etc), Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, Animal Tissues (e.g. brain liver muscle skin etc), Plant Tissues (e.g. seeds stems flowers etc)		Open Source, Commercial/Proprietary, In-house produced
97	4	2-For Profit	Publicly Held	8-Data acquisition/throughput		Technology Development/Enablement (e.g. instrument company or service provider)	2 - 4 years ago	LC/MS		1						Time of Flight - Hybrid (e.g. qToF IT-TOF etc)			1		1							In-house developed	1																			Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Derivatives (e.g. serum or plasma), Urine, Cerebrospinal Fluid (CSF)		Commercial/Proprietary
98	4	2-For Profit	Privately Held	3-Data processing/reduction		Technology Development/Enablement (e.g. instrument company or service provider)	7 years or more	GC/MS, LC/MS, GCxGC-MS	1	1				1		Time of flight - non-hybrid, Time of Flight - Hybrid (e.g. qToF IT-TOF etc)			1	1	1							In-house developed, Binbase/SetupX, ChemFinder, ChemSpider, KEGG, Metlin, NIST, PubChem	1	1		1	1		1					1	1	1						Proteomics (e.g. label-free SILAC ICAT iTRAQ etc)	Blood Deriv