#METABOLOMICS WORKBENCH kevdupuis_20170527_125027 DATATRACK_ID:927 STUDY_ID:ST000619 ANALYSIS_ID:AN001826 PROJECT_ID:PR000573 VERSION 1 CREATED_ON January 10, 2019, 10:55 am #PROJECT PR:PROJECT_TITLE A structural examination and collision cross section database of over 500 PR:PROJECT_TITLE metabolities and xenobiotics using drift tube ion mobility PR:PROJECT_TYPE Library compilation of metabolomic standards PR:PROJECT_SUMMARY Standards of metabolomic pathways and external secondary metabolites and PR:PROJECT_SUMMARY xenobiotics were analysed with Agilent 6560 Ion mobility QTOF MS platform to PR:PROJECT_SUMMARY build a comprehensive library of Collision Cross Section values. All PR:PROJECT_SUMMARY measurements were performed in triplicate in both positive and negative PR:PROJECT_SUMMARY polarities with nitrogen gas and at seven different electric fields, so that PR:PROJECT_SUMMARY values could be directly measured and random standard deviations (RSD) assessed PR:PROJECT_SUMMARY for each molecule. PR:INSTITUTE Pacific Northwest National Laboratory PR:DEPARTMENT Integrative Omics PR:LABORATORY Pacific Northwest National Laboratory PR:LAST_NAME Baker PR:FIRST_NAME Erin PR:ADDRESS Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, WA PR:EMAIL erin.baker@pnnl.gov PR:PHONE N/A #STUDY ST:STUDY_TITLE A structural examination and collision cross section database of over 500 ST:STUDY_TITLE metabolities and xenobiotics using drift tube ion mobility ST:STUDY_TYPE Library compilation of metabolomic standards ST:STUDY_SUMMARY Standards of metabolomic pathways and external secondary metabolites and ST:STUDY_SUMMARY xenobiotics were analysed with Agilent 6560 Ion mobility QTOF MS platform to ST:STUDY_SUMMARY build a comprehensive library of Collision Cross Section values. All ST:STUDY_SUMMARY measurements were performed in triplicate in both positive and negative ST:STUDY_SUMMARY polarities with nitrogen gas and at seven different electric fields, so that ST:STUDY_SUMMARY values could be directly measured and random standard deviations (RSD) assessed ST:STUDY_SUMMARY for each molecule. ST:INSTITUTE Pacific Northwest National Laboratory ST:DEPARTMENT Integrative Omics ST:LABORATORY Pacific Northwest National Laboratory ST:LAST_NAME Baker ST:FIRST_NAME Erin ST:ADDRESS Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, WA ST:EMAIL erin.baker@pnnl.gov ST:PHONE N/A #SUBJECT SU:SUBJECT_TYPE Metabolite standards SU:SUBJECT_SPECIES None #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - Glycine Sample type:Standard Sample_id (CAS)=56-40-6 SUBJECT_SAMPLE_FACTORS - L-Alanine Sample type:Standard Sample_id (CAS)=56-41-7 SUBJECT_SAMPLE_FACTORS - N,N-Dimethylglycine Sample type:Standard Sample_id (CAS)=1118-68-9 SUBJECT_SAMPLE_FACTORS - L-Serine Sample type:Standard Sample_id (CAS)=56-45-1 SUBJECT_SAMPLE_FACTORS - L-Proline Sample type:Standard Sample_id (CAS)=147-85-3 SUBJECT_SAMPLE_FACTORS - L-Valine Sample type:Standard Sample_id (CAS)=72-18-4 SUBJECT_SAMPLE_FACTORS - L-Threonine Sample type:Standard Sample_id (CAS)=72-19-5 SUBJECT_SAMPLE_FACTORS - L-Cysteine Sample type:Standard Sample_id (CAS)=52-90-4 SUBJECT_SAMPLE_FACTORS - Propionyl Glycine Sample type:Standard Sample_id (CAS)=21709-90-0 SUBJECT_SAMPLE_FACTORS - Cis-4-hydroxy-L-proline Sample type:Standard Sample_id (CAS)=618-27-9 SUBJECT_SAMPLE_FACTORS - L-Allo-Isoleucine Sample type:Standard Sample_id (CAS)=1509-34-8 SUBJECT_SAMPLE_FACTORS - L-Leucine Sample type:Standard Sample_id (CAS)=61-90-5 SUBJECT_SAMPLE_FACTORS - D-Leucine Sample type:Standard Sample_id (CAS)=328-38-1 SUBJECT_SAMPLE_FACTORS - L-Isoleucine Sample type:Standard Sample_id (CAS)=73-32-5 SUBJECT_SAMPLE_FACTORS - L-Asparagine Sample type:Standard Sample_id (CAS)=70-47-3 SUBJECT_SAMPLE_FACTORS - L-Ornithine Sample type:Standard Sample_id (CAS)=70-26-8 SUBJECT_SAMPLE_FACTORS - L-Aspartic Acid Sample type:Standard Sample_id (CAS)=56-84-8 SUBJECT_SAMPLE_FACTORS - L-Glutamine Sample type:Standard Sample_id (CAS)=56-85-9 SUBJECT_SAMPLE_FACTORS - L-Lysine Sample type:Standard Sample_id (CAS)=56-87-1 SUBJECT_SAMPLE_FACTORS - L-Glutamic Acid Sample type:Standard Sample_id (CAS)=56-86-0 SUBJECT_SAMPLE_FACTORS - L-Methionine Sample type:Standard Sample_id (CAS)=63-68-3 SUBJECT_SAMPLE_FACTORS - L-Histidine Sample type:Standard Sample_id (CAS)=71-00-1 SUBJECT_SAMPLE_FACTORS - L-Phenylalanine Sample type:Standard Sample_id (CAS)=63-91-2 SUBJECT_SAMPLE_FACTORS - L-Arginine Sample type:Standard Sample_id (CAS)=74-79-3 SUBJECT_SAMPLE_FACTORS - L-Citrulline Sample type:Standard Sample_id (CAS)=372-75-8 SUBJECT_SAMPLE_FACTORS - L-Tyrosine Sample type:Standard Sample_id (CAS)=60-18-4 SUBJECT_SAMPLE_FACTORS - L-Tryptophan Sample type:Standard Sample_id (CAS)=73-22-3 SUBJECT_SAMPLE_FACTORS - Phosphocreatine Sample type:Standard Sample_id (CAS)=67-07-2 SUBJECT_SAMPLE_FACTORS - L-Cystathionine Sample type:Standard Sample_id (CAS)=535-34-2 SUBJECT_SAMPLE_FACTORS - Phenylacetyl L-Glutamine Sample type:Standard Sample_id (CAS)=28047-15-6 SUBJECT_SAMPLE_FACTORS - 2-Chloro-L-Phenylalanine Sample type:Standard Sample_id (CAS)=103616-89-3 SUBJECT_SAMPLE_FACTORS - B-Chloro-DL-Alanine Sample type:Standard Sample_id (CAS)=13215-35-5 SUBJECT_SAMPLE_FACTORS - Homocysteine Sample type:Standard Sample_id (CAS)=454-29-5 SUBJECT_SAMPLE_FACTORS - Vitamin C Sample type:Standard Sample_id (CAS)=50-81-7 SUBJECT_SAMPLE_FACTORS - Glutathione Sample type:Standard Sample_id (CAS)=70-18-8 SUBJECT_SAMPLE_FACTORS - Chenodeoxycholic Acid Sample type:Standard Sample_id (CAS)=474-25-9 SUBJECT_SAMPLE_FACTORS - Cholic Acid Sample type:Standard Sample_id (CAS)=81-25-4 SUBJECT_SAMPLE_FACTORS - Deoxycholic Acid Sample type:Standard Sample_id (CAS)=83-44-3 SUBJECT_SAMPLE_FACTORS - Glycochenodeoxycholic Acid Sample type:Standard Sample_id (CAS)=16564-43-5 SUBJECT_SAMPLE_FACTORS - Glycocholic Acid Sample type:Standard Sample_id (CAS)=1192657-83-2 SUBJECT_SAMPLE_FACTORS - Glycodeoxycholic Acid Sample type:Standard Sample_id (CAS)=16409-34-0 SUBJECT_SAMPLE_FACTORS - Glycolithocholic Acid Sample type:Standard Sample_id (CAS)=24404-83-9 SUBJECT_SAMPLE_FACTORS - Taurochenodeoxycholic Acid (sulfate adduct) Sample type:Standard Sample_id (CAS)=516-35-8 SUBJECT_SAMPLE_FACTORS - Taurocholic Acid Sample type:Standard Sample_id (CAS)=345909-26-4 SUBJECT_SAMPLE_FACTORS - Taurodeoxycholic Acid Sample type:Standard Sample_id (CAS)=207737-97-1 SUBJECT_SAMPLE_FACTORS - Ursodeoxycholic Acid Sample type:Standard Sample_id (CAS)=128-13-2 SUBJECT_SAMPLE_FACTORS - Sulfolithocholic Acid Sample type:Standard Sample_id (CAS)=34669-57-3 SUBJECT_SAMPLE_FACTORS - Taurochenodeoxycholic Acid Sample type:Standard Sample_id (CAS)=6009-98-9 SUBJECT_SAMPLE_FACTORS - Ursocholic Acid Sample type:Standard Sample_id (CAS)=2955-27-3 SUBJECT_SAMPLE_FACTORS - α-Muricholic Acid Sample type:Standard Sample_id (CAS)=2393-58-0 SUBJECT_SAMPLE_FACTORS - β-Muricholic Acid Sample type:Standard Sample_id (CAS)=2393-59-1 SUBJECT_SAMPLE_FACTORS - Hyocholic Acid Sample type:Standard Sample_id (CAS)=547-75-1 SUBJECT_SAMPLE_FACTORS - 3- Hydroxypentanoic Acid Sample type:Standard Sample_id (CAS)=10237-77-1 SUBJECT_SAMPLE_FACTORS - Formic Acid Sample type:Standard Sample_id (CAS)=141-53-7 SUBJECT_SAMPLE_FACTORS - Palmitoleic acid Sample type:Standard Sample_id (CAS)=373-49-9 SUBJECT_SAMPLE_FACTORS - Icosadienoic acid Sample type:Standard Sample_id (CAS)=2091-39-6 SUBJECT_SAMPLE_FACTORS - Oleic acid Sample type:Standard Sample_id (CAS)=112-80-1 SUBJECT_SAMPLE_FACTORS - Arachidonic acid Sample type:Standard Sample_id (CAS)=506-32-1 SUBJECT_SAMPLE_FACTORS - Lauric Acid Sample type:Standard Sample_id (CAS)=143-07-7 SUBJECT_SAMPLE_FACTORS - Pentadecylic acid Sample type:Standard Sample_id (CAS)=1002-84-2 SUBJECT_SAMPLE_FACTORS - Heptadecanoic Acid Sample type:Standard Sample_id (CAS)=506-12-7 SUBJECT_SAMPLE_FACTORS - Linoleic acid Sample type:Standard Sample_id (CAS)=60-33-3 SUBJECT_SAMPLE_FACTORS - Eicosenoic acid Sample type:Standard Sample_id (CAS)=5561-99-9 SUBJECT_SAMPLE_FACTORS - Palmitic Acid Sample type:Standard Sample_id (CAS)=57-10-3 SUBJECT_SAMPLE_FACTORS - Stearic Acid Sample type:Standard Sample_id (CAS)=57-11-4 SUBJECT_SAMPLE_FACTORS - Linlenic Acid Sample type:Standard Sample_id (CAS)=463-40-1 SUBJECT_SAMPLE_FACTORS - Arachidic Acid Sample type:Standard Sample_id (CAS)=506-30-9 SUBJECT_SAMPLE_FACTORS - Bishomo-gamma-linolenic acid Sample type:Standard Sample_id (CAS)=1783-84-2 SUBJECT_SAMPLE_FACTORS - Lignoceric acid Sample type:Standard Sample_id (CAS)=557-59-5 SUBJECT_SAMPLE_FACTORS - Adrenic acid Sample type:Standard Sample_id (CAS)=28874-58-0 SUBJECT_SAMPLE_FACTORS - Docosahexaenoic acid Sample type:Standard Sample_id (CAS)=6217-54-5 SUBJECT_SAMPLE_FACTORS - LPC 13:0 Sample type:Standard Sample_id (CAS)=20559-17-5 SUBJECT_SAMPLE_FACTORS - DG (12:0/12:0) Sample type:Standard Sample_id (CAS)=60562-15-4 SUBJECT_SAMPLE_FACTORS - LPS (16:0/0:0) Sample type:Standard Sample_id (CAS)=143077-66-1 SUBJECT_SAMPLE_FACTORS - LPC 18:1 Sample type:Standard Sample_id (CAS)=19420-56-5 SUBJECT_SAMPLE_FACTORS - PC (11:0/11:0) Sample type:Standard Sample_id (CAS)=27869-47-2 SUBJECT_SAMPLE_FACTORS - GalCer (d18:1/12:0) Sample type:Standard Sample_id (CAS)=111956-48-0 SUBJECT_SAMPLE_FACTORS - PS (14:0/14:0) Sample type:Standard Sample_id (CAS)=105405-50-3 SUBJECT_SAMPLE_FACTORS - BMP (14:0/14:0) Sample type:Standard Sample_id (CAS)=325466-03-3 SUBJECT_SAMPLE_FACTORS - SM (d18:1/17:0) Sample type:Standard Sample_id (CAS)=121999-64-2 SUBJECT_SAMPLE_FACTORS - PC (16:1/16:1) (del9-cis) Sample type:Standard Sample_id (CAS)=4724-96-3 SUBJECT_SAMPLE_FACTORS - PE (18:1/18:1) (del9-cis) Sample type:Standard Sample_id (CAS)=4004-05-01 SUBJECT_SAMPLE_FACTORS - PE (18:1/18:1) (del9-trans) Sample type:Standard Sample_id (CAS)=19805-18-6 SUBJECT_SAMPLE_FACTORS - TG (14:0/16:1/14:0) Sample type:Standard Sample_id (CAS)=875584-25-1 SUBJECT_SAMPLE_FACTORS - LacCer (d18:1/8:0) Sample type:Standard Sample_id (CAS)=939036-94-9 SUBJECT_SAMPLE_FACTORS - PG(17:0/17:0) Sample type:Standard Sample_id (CAS)=799268-52-3 SUBJECT_SAMPLE_FACTORS - PC(18:1(9Z)/16:0) Sample type:Standard Sample_id (CAS)=59491-62-2 SUBJECT_SAMPLE_FACTORS - PG (18:1/18:1) (del9-trans) Sample type:Standard Sample_id (CAS)=322647-40-5 SUBJECT_SAMPLE_FACTORS - PG (18:1/18:1) (del9-cis) Sample type:Standard Sample_id (CAS)=67254-28-8 SUBJECT_SAMPLE_FACTORS - PC (18:1/18:1) (del9-cis) Sample type:Standard Sample_id (CAS)=56391-91-4 SUBJECT_SAMPLE_FACTORS - PC (18:1/18:1) (del9-trans) Sample type:Standard Sample_id (CAS)=56782-46-8 SUBJECT_SAMPLE_FACTORS - PG (16:0/16:0) 4Me Sample type:Standard Sample_id (CAS)=474967-73-2 SUBJECT_SAMPLE_FACTORS - Leukotriene B4 Sample type:Standard Sample_id (CAS)=71160-24-2 SUBJECT_SAMPLE_FACTORS - Lipoxin A4 Sample type:Standard Sample_id (CAS)=89663-86-5 SUBJECT_SAMPLE_FACTORS - Prostaglandin E2 Sample type:Standard Sample_id (CAS)=363-24-6 SUBJECT_SAMPLE_FACTORS - 13-Hydroxyoctadecadienoic acid Sample type:Standard Sample_id (CAS)=73804-64-5 SUBJECT_SAMPLE_FACTORS - 11,12-epoxy-5Z,8Z,14Z-eicosatrienoic acid Sample type:Standard Sample_id (CAS)=81276-02-0 SUBJECT_SAMPLE_FACTORS - 9-hydroxy-10E,12Z-octadecadienoic acid Sample type:Standard Sample_id (CAS)=98524-19-7 SUBJECT_SAMPLE_FACTORS - 5-Hydroxyeicosatetraenoic acid Sample type:Standard Sample_id (CAS)=70608-72-9 SUBJECT_SAMPLE_FACTORS - 12(S)-Hydroxyeicosatetraenoic acid Sample type:Standard Sample_id (CAS)=54397-83-0 SUBJECT_SAMPLE_FACTORS - 8-Epi-prostaglandin F2alpha Sample type:Standard Sample_id (CAS)=27415-26-5 SUBJECT_SAMPLE_FACTORS - 8(S)-hydroxyeicosatetraenoic acid Sample type:Standard Sample_id (CAS)=98462-03-04 SUBJECT_SAMPLE_FACTORS - Thromboxane B2 Sample type:Standard Sample_id (CAS)=54397-85-2 SUBJECT_SAMPLE_FACTORS - 8-iso-15R-PGF2a Sample type:Standard Sample_id (CAS)=214748-65-9 SUBJECT_SAMPLE_FACTORS - 17S-hydroxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid Sample type:Standard Sample_id (CAS)=92693-03-03 SUBJECT_SAMPLE_FACTORS - Carbocyclic Thromboxane A2 Sample type:Standard Sample_id (CAS)=74034-56-3 SUBJECT_SAMPLE_FACTORS - 1-Methylguanosine Sample type:Standard Sample_id (CAS)=2140-65-0 SUBJECT_SAMPLE_FACTORS - 5'-Deoxyadenosine Sample type:Standard Sample_id (CAS)=4754-39-6 SUBJECT_SAMPLE_FACTORS - 5-Methylcytidine Sample type:Standard Sample_id (CAS)=2140-61-6 SUBJECT_SAMPLE_FACTORS - 8-hydroxy-2'-deoxyguanosine Sample type:Standard Sample_id (CAS)=88847-89-6 SUBJECT_SAMPLE_FACTORS - Inosine Sample type:Standard Sample_id (CAS)=58-63-9 SUBJECT_SAMPLE_FACTORS - Uridine Sample type:Standard Sample_id (CAS)=58-96-8 SUBJECT_SAMPLE_FACTORS - Xanthosine Sample type:Standard Sample_id (CAS)=146-80-5 SUBJECT_SAMPLE_FACTORS - Adenosine 5'-Monophosphate (AMP) Sample type:Standard Sample_id (CAS)=61-19-8 SUBJECT_SAMPLE_FACTORS - Adenosine 5'-Diphosphate (From Bacterial Source) Sample type:Standard Sample_id (CAS)=58-64-0 SUBJECT_SAMPLE_FACTORS - Adenosine 5'-Triphosphate (ATP) Sample type:Standard Sample_id (CAS)=56-65-5 SUBJECT_SAMPLE_FACTORS - Adenosine 5'-Diphosphoglucose Sample type:Standard Sample_id (CAS)=2140-58-1 SUBJECT_SAMPLE_FACTORS - Flavin Adenine Dinucleotide Sample type:Standard Sample_id (CAS)=146-14-5 SUBJECT_SAMPLE_FACTORS - Inosine 5'-Monophosphate Sample type:Standard Sample_id (CAS)=131-99-7 SUBJECT_SAMPLE_FACTORS - Cytidine 5'-Monophosphate Sample type:Standard Sample_id (CAS)=63-37-6 SUBJECT_SAMPLE_FACTORS - Guanosine 5' Monophosphate Sample type:Standard Sample_id (CAS)=85-32-5 SUBJECT_SAMPLE_FACTORS - Cytidine 5'-Triphosphate Sample type:Standard Sample_id (CAS)=65-47-4 SUBJECT_SAMPLE_FACTORS - alpha-Nicotinamide Adenine Dinucleotide (Sacchatomyces Cerevisiae) Sample type:Standard Sample_id (CAS)=7298-93-3 SUBJECT_SAMPLE_FACTORS - beta-Nicotinamide Adenine Dinucleotide Sample type:Standard Sample_id (CAS)=53-84-9 SUBJECT_SAMPLE_FACTORS - Riboflavin 5'-Monophosphate Sample type:Standard Sample_id (CAS)=146-17-8 SUBJECT_SAMPLE_FACTORS - Thymidine 5'-Monophosphate Sample type:Standard Sample_id (CAS)=365-07-1 SUBJECT_SAMPLE_FACTORS - Thymidine 5'-Triphosphate Sample type:Standard Sample_id (CAS)=365-08-2 SUBJECT_SAMPLE_FACTORS - Uridine 5'-Monophosphate Sample type:Standard Sample_id (CAS)=58-97-9 SUBJECT_SAMPLE_FACTORS - Uridine 5'-Diphosphate Sample type:Standard Sample_id (CAS)=58-98-0 SUBJECT_SAMPLE_FACTORS - Uridine 5'-Triphosphate Sample type:Standard Sample_id (CAS)=63-39-8 SUBJECT_SAMPLE_FACTORS - Thiamine Monophosphate Sample type:Standard Sample_id (CAS)=10023-48-0 SUBJECT_SAMPLE_FACTORS - Cortisol Sample type:Standard Sample_id (CAS)=50-23-7 SUBJECT_SAMPLE_FACTORS - 2-Keto-3-deoxy-D-gluconic acid Sample type:Standard Sample_id (CAS)=17510-99-5 SUBJECT_SAMPLE_FACTORS - Progesterone Sample type:Standard Sample_id (CAS)=57-83-0 SUBJECT_SAMPLE_FACTORS - 17a-Hydroxyprogesterone Sample type:Standard Sample_id (CAS)=68-96-2 SUBJECT_SAMPLE_FACTORS - 17alpha-Hydroxypregnenolone Sample type:Standard Sample_id (CAS)=387-79-1 SUBJECT_SAMPLE_FACTORS - 11-Ketoetiocholanolone Sample type:Standard Sample_id (CAS)=739-27-5 SUBJECT_SAMPLE_FACTORS - 21-Hydroxypregnenolone Sample type:Standard Sample_id (CAS)=1164-98-3 SUBJECT_SAMPLE_FACTORS - Aldosterone Sample type:Standard Sample_id (CAS)=52-39-1 SUBJECT_SAMPLE_FACTORS - Androstenedione Sample type:Standard Sample_id (CAS)=63-05-8 SUBJECT_SAMPLE_FACTORS - Beta-Cortol Sample type:Standard Sample_id (CAS)=667-65-2 SUBJECT_SAMPLE_FACTORS - Pregnenolone Sample type:Standard Sample_id (CAS)=145-13-1 SUBJECT_SAMPLE_FACTORS - 2-Methoxyestrone Sample type:Standard Sample_id (CAS)=362-08-3 SUBJECT_SAMPLE_FACTORS - Testosterone Sample type:Standard Sample_id (CAS)=58-22-0 SUBJECT_SAMPLE_FACTORS - D-Fructose-1-phosphate Sample type:Standard Sample_id (CAS)=15978-08-02 SUBJECT_SAMPLE_FACTORS - D-Arabinose Sample type:Standard Sample_id (CAS)=10323-20-3 SUBJECT_SAMPLE_FACTORS - L-Arabinose Sample type:Standard Sample_id (CAS)=147-81-9 SUBJECT_SAMPLE_FACTORS - D-Ribose Sample type:Standard Sample_id (CAS)=50-69-1 SUBJECT_SAMPLE_FACTORS - L-Ribulose Sample type:Standard Sample_id (CAS)=2042-27-5 SUBJECT_SAMPLE_FACTORS - D-Xylulose Sample type:Standard Sample_id (CAS)=551-84-8 SUBJECT_SAMPLE_FACTORS - D-(+)-Xylose Sample type:Standard Sample_id (CAS)=58-86-6 SUBJECT_SAMPLE_FACTORS - D-Glucose Sample type:Standard Sample_id (CAS)=50-99-7 SUBJECT_SAMPLE_FACTORS - D-Glucose-1-13C Sample type:Standard Sample_id (CAS)=40762-22-9 SUBJECT_SAMPLE_FACTORS - D-Galactose Sample type:Standard Sample_id (CAS)=59-23-4 SUBJECT_SAMPLE_FACTORS - D-Fructose Sample type:Standard Sample_id (CAS)=57-48-7 SUBJECT_SAMPLE_FACTORS - D-Mannose Sample type:Standard Sample_id (CAS)=3458-28-4 SUBJECT_SAMPLE_FACTORS - D-Glucose 13C6 Sample type:Standard Sample_id (CAS)=110187-42-3 SUBJECT_SAMPLE_FACTORS - D-Glucose-6-13C Sample type:Standard Sample_id (CAS)=106032-62-6 SUBJECT_SAMPLE_FACTORS - D-Erythrose 4-Phosphate Sample type:Standard Sample_id (CAS)=585-18-2 SUBJECT_SAMPLE_FACTORS - D-Sedoheptulose Sample type:Standard Sample_id (CAS)=3019-74-7 SUBJECT_SAMPLE_FACTORS - D-Ribose 5-phosphate Sample type:Standard Sample_id (CAS)=4300-28-1 SUBJECT_SAMPLE_FACTORS - D-Ribulose-5-phosphate Sample type:Standard Sample_id (CAS)=4151-19-3 SUBJECT_SAMPLE_FACTORS - D-Xylulose 5-Phosphate Sample type:Standard Sample_id (CAS)=4212-65-1 SUBJECT_SAMPLE_FACTORS - D-Glucosamine 6-Phosphate Sample type:Standard Sample_id (CAS)=3616-42-0 SUBJECT_SAMPLE_FACTORS - D-Glucose 6-phosphate Sample type:Standard Sample_id (CAS)=56-73-5 SUBJECT_SAMPLE_FACTORS - D-Fructose 6-Phosphate Sample type:Standard Sample_id (CAS)=643-13-0 SUBJECT_SAMPLE_FACTORS - D-Glucose-1-phosphate Sample type:Standard Sample_id (CAS)=59-56-3 SUBJECT_SAMPLE_FACTORS - Xylobiose Sample type:Standard Sample_id (CAS)=6860-47-5 SUBJECT_SAMPLE_FACTORS - D-Fructose 1,6 Bisphosphate Sample type:Standard Sample_id (CAS)=38099-82-0 SUBJECT_SAMPLE_FACTORS - 6-Phosphogluconic acid Sample type:Standard Sample_id (CAS)=921-62-0 SUBJECT_SAMPLE_FACTORS - Cellobiose Sample type:Standard Sample_id (CAS)=528-50-7 SUBJECT_SAMPLE_FACTORS - Beta-Gentiobiose Sample type:Standard Sample_id (CAS)=554-91-6 SUBJECT_SAMPLE_FACTORS - Isomaltose Sample type:Standard Sample_id (CAS)=499-40-1 SUBJECT_SAMPLE_FACTORS - Lactose Sample type:Standard Sample_id (CAS)=63-42-3 SUBJECT_SAMPLE_FACTORS - Lactulose Sample type:Standard Sample_id (CAS)=4618-18-2 SUBJECT_SAMPLE_FACTORS - 2a-Mannobiose Sample type:Standard Sample_id (CAS)=15548-39-7 SUBJECT_SAMPLE_FACTORS - D-Maltose Sample type:Standard Sample_id (CAS)=69-79-4 SUBJECT_SAMPLE_FACTORS - Maltulose Sample type:Standard Sample_id (CAS)=17606-72-3 SUBJECT_SAMPLE_FACTORS - Melibiose Sample type:Standard Sample_id (CAS)=585-99-9 SUBJECT_SAMPLE_FACTORS - Palatinose Sample type:Standard Sample_id (CAS)=13718-94-0 SUBJECT_SAMPLE_FACTORS - Sophorose Sample type:Standard Sample_id (CAS)=20880-64-2 SUBJECT_SAMPLE_FACTORS - D-Sucrose Sample type:Standard Sample_id (CAS)=57-50-1 SUBJECT_SAMPLE_FACTORS - D-(+)-Trehalose Sample type:Standard Sample_id (CAS)=99-20-7 SUBJECT_SAMPLE_FACTORS - D-(+)-Turanose Sample type:Standard Sample_id (CAS)=547-25-1 SUBJECT_SAMPLE_FACTORS - Trehalose 6-Phosphate Sample type:Standard Sample_id (CAS)=4484-88-2 SUBJECT_SAMPLE_FACTORS - Cellotriose Sample type:Standard Sample_id (CAS)=33404-34-1 SUBJECT_SAMPLE_FACTORS - Isomaltotriose Sample type:Standard Sample_id (CAS)=3371-50-4 SUBJECT_SAMPLE_FACTORS - 1-Kestose Sample type:Standard Sample_id (CAS)=470-69-9 SUBJECT_SAMPLE_FACTORS - Maltotriose Sample type:Standard Sample_id (CAS)=1109-28-0 SUBJECT_SAMPLE_FACTORS - D-(+)-Melezitose Sample type:Standard Sample_id (CAS)=597-12-6 SUBJECT_SAMPLE_FACTORS - D-Raffinose Sample type:Standard Sample_id (CAS)=512-69-6 SUBJECT_SAMPLE_FACTORS - Cellotetraose Sample type:Standard Sample_id (CAS)=38819-01-01 SUBJECT_SAMPLE_FACTORS - Maltotetraose Sample type:Standard Sample_id (CAS)=34612-38-9 SUBJECT_SAMPLE_FACTORS - Mannotetraose Sample type:Standard Sample_id (CAS)=3634-02-04 SUBJECT_SAMPLE_FACTORS - Lacto-N-Neotetraose (LNnT) Sample type:Standard Sample_id (CAS)=13007-32-4 SUBJECT_SAMPLE_FACTORS - Lacto-N-Tetraose (LNT) Sample type:Standard Sample_id (CAS)=14116-68-8 SUBJECT_SAMPLE_FACTORS - Cellopentaose Sample type:Standard Sample_id (CAS)=2240-27-9 SUBJECT_SAMPLE_FACTORS - Maltopentaose Sample type:Standard Sample_id (CAS)=34620-76-3 SUBJECT_SAMPLE_FACTORS - 3alpha,6alpha-Mannopentaose Sample type:Standard Sample_id (CAS)=112828-69-0 SUBJECT_SAMPLE_FACTORS - 1,4-beta-D-Mannopentaose Sample type:Standard Sample_id (CAS)=70281-35-5 SUBJECT_SAMPLE_FACTORS - Lacto-N-Fucopentaose 1 (LNPF 1) Sample type:Standard Sample_id (CAS)=7578-25-8 SUBJECT_SAMPLE_FACTORS - Lacto-N-Fucopentaose 2 (LNPF2) Sample type:Standard Sample_id (CAS)=21973-23-9 SUBJECT_SAMPLE_FACTORS - Lacto-N-Fucopentaose 3 (LNPF3) Sample type:Standard Sample_id (CAS)=25541-09-07 SUBJECT_SAMPLE_FACTORS - D-Cellohexaose Sample type:Standard Sample_id (CAS)=2478-35-5 SUBJECT_SAMPLE_FACTORS - Maltohexaose Sample type:Standard Sample_id (CAS)=34620-77-4 SUBJECT_SAMPLE_FACTORS - Mannohexaose Sample type:Standard Sample_id (CAS)=70281-36-7 SUBJECT_SAMPLE_FACTORS - Lacto-N-hexaose (LNH) Sample type:Standard Sample_id (CAS)=64003-51-6 SUBJECT_SAMPLE_FACTORS - Lacto-N-neohexaose (LNnH) Sample type:Standard Sample_id (CAS)=36824-93-8 SUBJECT_SAMPLE_FACTORS - Retinol Sample type:Standard Sample_id (CAS)=68-26-8 SUBJECT_SAMPLE_FACTORS - alpha-Tocopherol Sample type:Standard Sample_id (CAS)=59-02-9 SUBJECT_SAMPLE_FACTORS - gamma- + -beta-Tocopherol Sample type:Standard Sample_id (CAS)=54-28-4 SUBJECT_SAMPLE_FACTORS - 5-Methyltetrahydrofolate Sample type:Standard Sample_id (CAS)=134-35-0 SUBJECT_SAMPLE_FACTORS - Pyridoxal 5'-phosphate Sample type:Standard Sample_id (CAS)=54-47-7 SUBJECT_SAMPLE_FACTORS - 1,2 Phenylenediamine Sample type:Standard Sample_id (CAS)=95-54-5 SUBJECT_SAMPLE_FACTORS - 1-Methyladenine Sample type:Standard Sample_id (CAS)=5142-22-3 SUBJECT_SAMPLE_FACTORS - 1-Methylhistamine Sample type:Standard Sample_id (CAS)=501-75-7 SUBJECT_SAMPLE_FACTORS - 3,4-Dihydroxypyridine Sample type:Standard Sample_id (CAS)=10182-48-6 SUBJECT_SAMPLE_FACTORS - 3-Hydroxy-2-Methylbutanal Sample type:Standard Sample_id (CAS)=99506-67-9 SUBJECT_SAMPLE_FACTORS - D-Glyceraldehyde 3-Phosphate Sample type:Standard Sample_id (CAS)=591-57-1 SUBJECT_SAMPLE_FACTORS - Allantoin Sample type:Standard Sample_id (CAS)=97-59-6 SUBJECT_SAMPLE_FACTORS - Butylated Hydroxytoluene Sample type:Standard Sample_id (CAS)=128-37-0 SUBJECT_SAMPLE_FACTORS - d-Desthiobiotin Sample type:Standard Sample_id (CAS)=533-48-2 SUBJECT_SAMPLE_FACTORS - Dihydroxyacetone Phosphate Sample type:Standard Sample_id (CAS)=57-04-5 SUBJECT_SAMPLE_FACTORS - sn-Glycerol 3-phosphate Sample type:Standard Sample_id (CAS)=17989-41-2 SUBJECT_SAMPLE_FACTORS - Succinate Sample type:Standard Sample_id (CAS)=110-15-6 SUBJECT_SAMPLE_FACTORS - Hypoxanthine Sample type:Standard Sample_id (CAS)=68-94-0 SUBJECT_SAMPLE_FACTORS - Inositol Sample type:Standard Sample_id (CAS)=87-89-8 SUBJECT_SAMPLE_FACTORS - acetoacetate Sample type:Standard Sample_id (CAS)=541-50-4 SUBJECT_SAMPLE_FACTORS - Acetyl phosphate Sample type:Standard Sample_id (CAS)=590-54-5 SUBJECT_SAMPLE_FACTORS - Oxytocin Sample type:Standard Sample_id (CAS)=50-56-6 SUBJECT_SAMPLE_FACTORS - Fumarate Sample type:Standard Sample_id (CAS)=17013-01-03 SUBJECT_SAMPLE_FACTORS - Glyoxylic Acid Sample type:Standard Sample_id (CAS)=298-12-4 SUBJECT_SAMPLE_FACTORS - Hippuric Acid Sample type:Standard Sample_id (CAS)=495-69-2 SUBJECT_SAMPLE_FACTORS - Pyruvic Acid Sample type:Standard Sample_id (CAS)=127-17-3 SUBJECT_SAMPLE_FACTORS - Pyruvic Acid-13C3 Sample type:Standard Sample_id (CAS)=127-17-3 SUBJECT_SAMPLE_FACTORS - L-Lactic acid Sample type:Standard Sample_id (CAS)=79-33-4 SUBJECT_SAMPLE_FACTORS - Xanthine Sample type:Standard Sample_id (CAS)=69-89-6 SUBJECT_SAMPLE_FACTORS - Indole Sample type:Standard Sample_id (CAS)=120-72-9 SUBJECT_SAMPLE_FACTORS - Tyramine Sample type:Standard Sample_id (CAS)=51-67-2 SUBJECT_SAMPLE_FACTORS - Salicylic Acid Sample type:Standard Sample_id (CAS)=69-72-7 SUBJECT_SAMPLE_FACTORS - Tryptamine Sample type:Standard Sample_id (CAS)=61-54-1 SUBJECT_SAMPLE_FACTORS - Shikimic Acid Sample type:Standard Sample_id (CAS)=138-59-0 SUBJECT_SAMPLE_FACTORS - 3,4-Dihydroxy-L-phenylalanine Sample type:Standard Sample_id (CAS)=59-92-7 SUBJECT_SAMPLE_FACTORS - 5-Hydroxy-L-Tryptophan Sample type:Standard Sample_id (CAS)=4350-09-8 SUBJECT_SAMPLE_FACTORS - 3-Methyl-3-Buten-1-ol Sample type:Standard Sample_id (CAS)=763-32-6 SUBJECT_SAMPLE_FACTORS - 4-Hydroxy-3 Methoxyphenylglycol Sulfate Sample type:Standard Sample_id (CAS)=71324-20-4 SUBJECT_SAMPLE_FACTORS - 4-Methyl-5-Thiazolethanol Sample type:Standard Sample_id (CAS)=137-00-8 SUBJECT_SAMPLE_FACTORS - N-Acetyl Sulfamethoxazole Sample type:Standard Sample_id (CAS)=21312-10-7 SUBJECT_SAMPLE_FACTORS - Phosphoenol Pyruvic Acid Sample type:Standard Sample_id (CAS)=138-08-9 SUBJECT_SAMPLE_FACTORS - rac 4-hydroxy-3-methoxyphenylethylene glycol Sample type:Standard Sample_id (CAS)=534-82-7 SUBJECT_SAMPLE_FACTORS - Glycerol Sample type:Standard Sample_id (CAS)=56-81-5 SUBJECT_SAMPLE_FACTORS - Tris (2-carboxyethyl) Phosphine Sample type:Standard Sample_id (CAS)=5961-85-3 SUBJECT_SAMPLE_FACTORS - N-(3-Phenylpropionyl)Glycine Sample type:Standard Sample_id (CAS)=56613-60-6 SUBJECT_SAMPLE_FACTORS - 1,2-Diacyl-sn-glycero 3-phosphocholine Sample type:Standard Sample_id (CAS)=8002-43-5 SUBJECT_SAMPLE_FACTORS - 1-Palmitoyl-2 Hydroxy-sn-Glycero-3-Phosphocholine Sample type:Standard Sample_id (CAS)=17364-16-8 SUBJECT_SAMPLE_FACTORS - Acetyl coenzyme A Sample type:Standard Sample_id (CAS)=72-89-9 SUBJECT_SAMPLE_FACTORS - Coenzyme Q10 Sample type:Standard Sample_id (CAS)=303-98-0 SUBJECT_SAMPLE_FACTORS - Methyl Arachidate Sample type:Standard Sample_id (CAS)=1120-28-1 SUBJECT_SAMPLE_FACTORS - Methyl Behenate Sample type:Standard Sample_id (CAS)=929-77-1 SUBJECT_SAMPLE_FACTORS - Methyl Linoleate Sample type:Standard Sample_id (CAS)=112-63-0 SUBJECT_SAMPLE_FACTORS - Methyl Palmitate Sample type:Standard Sample_id (CAS)=112-39-0 SUBJECT_SAMPLE_FACTORS - Methyl Stearate Sample type:Standard Sample_id (CAS)=112-61-8 SUBJECT_SAMPLE_FACTORS - Methyl Tetracosanoate Sample type:Standard Sample_id (CAS)=2442-49-1 SUBJECT_SAMPLE_FACTORS - Succinyl Coenzyme A Sample type:Standard Sample_id (CAS)=604-98-8 SUBJECT_SAMPLE_FACTORS - Tiglyl Glycine Sample type:Standard Sample_id (CAS)=35842-45-6 SUBJECT_SAMPLE_FACTORS - Pyrophosphoric Acid Sample type:Standard Sample_id (CAS)=2466-09-03 SUBJECT_SAMPLE_FACTORS - Argininosuccinic acid Sample type:Standard Sample_id (CAS)=2387-71-5 SUBJECT_SAMPLE_FACTORS - DL-2-Aminoadipic Acid Sample type:Standard Sample_id (CAS)=542-32-5 SUBJECT_SAMPLE_FACTORS - 3-Bromopyruvic Acid Sample type:Standard Sample_id (CAS)=1113-59-3 SUBJECT_SAMPLE_FACTORS - Cinnamic acid Sample type:Standard Sample_id (CAS)=140-10-3 SUBJECT_SAMPLE_FACTORS - Cis-Aconitic acid Sample type:Standard Sample_id (CAS)=585-84-2 SUBJECT_SAMPLE_FACTORS - Trans-Aconitic acid Sample type:Standard Sample_id (CAS)=4023-65-8 SUBJECT_SAMPLE_FACTORS - Citric Acid Sample type:Standard Sample_id (CAS)=77-92-9 SUBJECT_SAMPLE_FACTORS - Citric Acid 1,5 13C2 Sample type:Standard Sample_id (CAS)=302912-06-7 SUBJECT_SAMPLE_FACTORS - Citric Acid 13C6 Sample type:Standard Sample_id (CAS)=287389-42-8 SUBJECT_SAMPLE_FACTORS - 4,6-Dioxoheptanoic Acid Sample type:Standard Sample_id (CAS)=51568-18-4 SUBJECT_SAMPLE_FACTORS - 2-Methylhippuric Acid Sample type:Standard Sample_id (CAS)=42013-20-7 SUBJECT_SAMPLE_FACTORS - 3-Deoxy-2-Keto-6 Phosphogluconic Acid Sample type:Standard Sample_id (CAS)=27244-54-8 SUBJECT_SAMPLE_FACTORS - 2-Hydroxybutyric acid Sample type:Standard Sample_id (CAS)=600-15-7 SUBJECT_SAMPLE_FACTORS - 3-Hydroxybutyric Acid Sample type:Standard Sample_id (CAS)=625-72-9 SUBJECT_SAMPLE_FACTORS - 4-Hydroxyphenylacetic acid Sample type:Standard Sample_id (CAS)=156-38-7 SUBJECT_SAMPLE_FACTORS - 4-Hydroxyphenylpyruvic acid Sample type:Standard Sample_id (CAS)=156-39-8 SUBJECT_SAMPLE_FACTORS - Isocitric Acid Sample type:Standard Sample_id (CAS)=320-77-4 SUBJECT_SAMPLE_FACTORS - DL-Glyceric Acid Sample type:Standard Sample_id (CAS)=473-81-4 SUBJECT_SAMPLE_FACTORS - Formamide Sample type:Standard Sample_id (CAS)=75-12-7 SUBJECT_SAMPLE_FACTORS - Fumaric Acid Sample type:Standard Sample_id (CAS)=110-17-8 SUBJECT_SAMPLE_FACTORS - Fumaric Acid 13C4 Sample type:Standard Sample_id (CAS)=201595-62-2 SUBJECT_SAMPLE_FACTORS - Homovanillic acid Sample type:Standard Sample_id (CAS)=306-08-1 SUBJECT_SAMPLE_FACTORS - Indoleacetic acid Sample type:Standard Sample_id (CAS)=87-51-4 SUBJECT_SAMPLE_FACTORS - Isobutyrylamino Acetic Acid Sample type:Standard Sample_id (CAS)=15926-18-8 SUBJECT_SAMPLE_FACTORS - alpha-Ketoglutaric Acid Sample type:Standard Sample_id (CAS)=328-50-7 SUBJECT_SAMPLE_FACTORS - 2-Ketoglutarate Acid D6 Sample type:Standard Sample_id (CAS)=1173021-86-7 SUBJECT_SAMPLE_FACTORS - Kynurenic acid Sample type:Standard Sample_id (CAS)=492-27-3 SUBJECT_SAMPLE_FACTORS - DL-Malic Acid 2,3,3-D3 Sample type:Standard Sample_id (CAS)=104596-63-6 SUBJECT_SAMPLE_FACTORS - L-Malic Acid Sample type:Standard Sample_id (CAS)=97-67-6 SUBJECT_SAMPLE_FACTORS - Mevalonic acid Sample type:Standard Sample_id (CAS)=17817-88-8 SUBJECT_SAMPLE_FACTORS - Mevalonic Acid 5-Pyrophosphate Sample type:Standard Sample_id (CAS)=1492-08-6 SUBJECT_SAMPLE_FACTORS - Mevalonic Acid 5-Phosphate Sample type:Standard Sample_id (CAS)=1189-94-2 SUBJECT_SAMPLE_FACTORS - 2-Oxovaleric acid Sample type:Standard Sample_id (CAS)=1821-02-09 SUBJECT_SAMPLE_FACTORS - Oxaloacetic acid Sample type:Standard Sample_id (CAS)=328-42-7 SUBJECT_SAMPLE_FACTORS - 3-Methylthiopropionic Acid Sample type:Standard Sample_id (CAS)=646-01-5 SUBJECT_SAMPLE_FACTORS - 3-Phosphoglycerate Sample type:Standard Sample_id (CAS)=2553-59-5 SUBJECT_SAMPLE_FACTORS - 2-Phosphoglycerate Sample type:Standard Sample_id (CAS)=3443-58-1 SUBJECT_SAMPLE_FACTORS - Quinic acid Sample type:Standard Sample_id (CAS)=77-95-2 SUBJECT_SAMPLE_FACTORS - Quinolinic acid Sample type:Standard Sample_id (CAS)=89-00-9 SUBJECT_SAMPLE_FACTORS - rac-5-Hydroxy Valproic Acid Sample type:Standard Sample_id (CAS)=1189994-89-5 SUBJECT_SAMPLE_FACTORS - Succinic acid Sample type:Standard Sample_id (CAS)=110-15-6 SUBJECT_SAMPLE_FACTORS - Thiamine Pyrophosphate Sample type:Standard Sample_id (CAS)=154-87-0 SUBJECT_SAMPLE_FACTORS - Urea Sample type:Standard Sample_id (CAS)=57-13-6 SUBJECT_SAMPLE_FACTORS - Anabasine Sample type:Standard Sample_id (CAS)=40774-73-0 SUBJECT_SAMPLE_FACTORS - L-Mimosine from Koa Hoale Seeds Sample type:Standard Sample_id (CAS)=500-44-7 SUBJECT_SAMPLE_FACTORS - Melissic Acid Sample type:Standard Sample_id (CAS)=506-50-3 SUBJECT_SAMPLE_FACTORS - Cyanidin Sample type:Standard Sample_id (CAS)=528-58-5 SUBJECT_SAMPLE_FACTORS - Delphinidin Sample type:Standard Sample_id (CAS)=13270-61-6 SUBJECT_SAMPLE_FACTORS - Astilbin Sample type:Standard Sample_id (CAS)=29838-67-3 SUBJECT_SAMPLE_FACTORS - Myricetin Sample type:Standard Sample_id (CAS)=529-44-2 SUBJECT_SAMPLE_FACTORS - Naringenin Sample type:Standard Sample_id (CAS)=480-41-1 SUBJECT_SAMPLE_FACTORS - Amentoflavone Sample type:Standard Sample_id (CAS)=1617-53-4 SUBJECT_SAMPLE_FACTORS - Naringin Sample type:Standard Sample_id (CAS)=10236-47-2 SUBJECT_SAMPLE_FACTORS - Rutin Sample type:Standard Sample_id (CAS)=153-18-4 SUBJECT_SAMPLE_FACTORS - Tangeritin Sample type:Standard Sample_id (CAS)=481-53-8 SUBJECT_SAMPLE_FACTORS - Formononetin Sample type:Standard Sample_id (CAS)=485-72-3 SUBJECT_SAMPLE_FACTORS - Eriodictyol Sample type:Standard Sample_id (CAS)=552-58-9 SUBJECT_SAMPLE_FACTORS - Malvidin Sample type:Standard Sample_id (CAS)=10463-84-0 SUBJECT_SAMPLE_FACTORS - 5-7-Dihydroxy-3'-4'-5'-Trimethoxyflavone Sample type:Standard Sample_id (CAS)=18103-42-9 SUBJECT_SAMPLE_FACTORS - Catechin Sample type:Standard Sample_id (CAS)=7295-85-4 SUBJECT_SAMPLE_FACTORS - Kaempferol Sample type:Standard Sample_id (CAS)=520-18-3 SUBJECT_SAMPLE_FACTORS - Hesperetin Sample type:Standard Sample_id (CAS)=520-33-2 SUBJECT_SAMPLE_FACTORS - Isorhamnetin Sample type:Standard Sample_id (CAS)=480-19-3 SUBJECT_SAMPLE_FACTORS - Loganin Sample type:Standard Sample_id (CAS)=18524-94-2 SUBJECT_SAMPLE_FACTORS - Acacetin Sample type:Standard Sample_id (CAS)=480-44-4 SUBJECT_SAMPLE_FACTORS - Malonyl-CoA Sample type:Standard Sample_id (CAS)=524-14-1 SUBJECT_SAMPLE_FACTORS - Humulene Sample type:Standard Sample_id (CAS)=6753-98-6 SUBJECT_SAMPLE_FACTORS - Camphor Sample type:Standard Sample_id (CAS)=76-22-2 SUBJECT_SAMPLE_FACTORS - Caryophyllene Sample type:Standard Sample_id (CAS)=87-44-5 SUBJECT_SAMPLE_FACTORS - Farnesol Sample type:Standard Sample_id (CAS)=4602-84-0 SUBJECT_SAMPLE_FACTORS - Cineole Sample type:Standard Sample_id (CAS)=470-82-6 SUBJECT_SAMPLE_FACTORS - Isoliquiritigenin Sample type:Standard Sample_id (CAS)=961-29-5 SUBJECT_SAMPLE_FACTORS - Cinnamaldehyde Sample type:Standard Sample_id (CAS)=104-55-2 SUBJECT_SAMPLE_FACTORS - Daidzein Sample type:Standard Sample_id (CAS)=486-66-8 SUBJECT_SAMPLE_FACTORS - Genistein Sample type:Standard Sample_id (CAS)=446-72-0 SUBJECT_SAMPLE_FACTORS - Pinostrobin Sample type:Standard Sample_id (CAS)=480-37-5 SUBJECT_SAMPLE_FACTORS - Umbelliferone Sample type:Standard Sample_id (CAS)=93-35-6 SUBJECT_SAMPLE_FACTORS - Prunetin Sample type:Standard Sample_id (CAS)=552-59-0 SUBJECT_SAMPLE_FACTORS - Xylitol Sample type:Standard Sample_id (CAS)=87-99-0 SUBJECT_SAMPLE_FACTORS - Camphene Sample type:Standard Sample_id (CAS)=79-92-5 SUBJECT_SAMPLE_FACTORS - Thujone Sample type:Standard Sample_id (CAS)=546-80-5 SUBJECT_SAMPLE_FACTORS - Linalool Sample type:Standard Sample_id (CAS)=78-70-6 SUBJECT_SAMPLE_FACTORS - Secologanin Sample type:Standard Sample_id (CAS)=19351-63-4 SUBJECT_SAMPLE_FACTORS - 3,5-Dibromo-L-tyrosine Sample type:Standard Sample_id (CAS)=300-38-9 SUBJECT_SAMPLE_FACTORS - Biochanin A Sample type:Standard Sample_id (CAS)=491-80-5 SUBJECT_SAMPLE_FACTORS - Isoprene Sample type:Standard Sample_id (CAS)=78-79-5 SUBJECT_SAMPLE_FACTORS - Borohydride Sample type:Standard Sample_id (CAS)=16971-29-2 SUBJECT_SAMPLE_FACTORS - Trans-Phytoene Sample type:Standard Sample_id (CAS)=540-04-5 SUBJECT_SAMPLE_FACTORS - Abscisic Acid Sample type:Standard Sample_id (CAS)=21293-29-8 SUBJECT_SAMPLE_FACTORS - Anethole Sample type:Standard Sample_id (CAS)=104-46-1 SUBJECT_SAMPLE_FACTORS - Betaine Sample type:Standard Sample_id (CAS)=107-43-7 SUBJECT_SAMPLE_FACTORS - Choline Sample type:Standard Sample_id (CAS)=62-49-7 SUBJECT_SAMPLE_FACTORS - Emodin Sample type:Standard Sample_id (CAS)=518-82-1 SUBJECT_SAMPLE_FACTORS - Hydroquinone Sample type:Standard Sample_id (CAS)=123-31-9 SUBJECT_SAMPLE_FACTORS - Juglone Sample type:Standard Sample_id (CAS)=481-39-0 SUBJECT_SAMPLE_FACTORS - Lumazine Sample type:Standard Sample_id (CAS)=487-21-8 SUBJECT_SAMPLE_FACTORS - Mangiferin Sample type:Standard Sample_id (CAS)=4773-96-0 SUBJECT_SAMPLE_FACTORS - Methyleugenol Sample type:Standard Sample_id (CAS)=93-15-2 SUBJECT_SAMPLE_FACTORS - Myristicin Sample type:Standard Sample_id (CAS)=607-91-0 SUBJECT_SAMPLE_FACTORS - D-Ribose 5-Phosphate Sample type:Standard Sample_id (CAS)=4300-28-1 SUBJECT_SAMPLE_FACTORS - Rotenone Sample type:Standard Sample_id (CAS)=83-79-4 SUBJECT_SAMPLE_FACTORS - Tyrosol Sample type:Standard Sample_id (CAS)=501-94-0 SUBJECT_SAMPLE_FACTORS - Uracil Sample type:Standard Sample_id (CAS)=66-22-8 SUBJECT_SAMPLE_FACTORS - Calcium Pantothenate Sample type:Standard Sample_id (CAS)=137-08-6 SUBJECT_SAMPLE_FACTORS - D-Biotin Sample type:Standard Sample_id (CAS)=58-85-5 SUBJECT_SAMPLE_FACTORS - Niacinamide Sample type:Standard Sample_id (CAS)=98-92-0 SUBJECT_SAMPLE_FACTORS - Pyridoxal 5'-Phosphate Sample type:Standard Sample_id (CAS)=54-47-7 SUBJECT_SAMPLE_FACTORS - Pyridoxal Sample type:Standard Sample_id (CAS)=65-22-5 SUBJECT_SAMPLE_FACTORS - Pyridoxamine Sample type:Standard Sample_id (CAS)=85-87-0 SUBJECT_SAMPLE_FACTORS - Riboflavin Sample type:Standard Sample_id (CAS)=83-88-5 SUBJECT_SAMPLE_FACTORS - Vitamin B12 Sample type:Standard Sample_id (CAS)=68-19-9 SUBJECT_SAMPLE_FACTORS - Vitamin K2 Sample type:Standard Sample_id (CAS)=863-61-6 SUBJECT_SAMPLE_FACTORS - Leucovorin Sample type:Standard Sample_id (CAS)=1492-18-8 SUBJECT_SAMPLE_FACTORS - Sulfisomidine Sample type:Standard Sample_id (CAS)=515-64-0 SUBJECT_SAMPLE_FACTORS - Naphthalene Sample type:Standard Sample_id (CAS)=91-20-3 SUBJECT_SAMPLE_FACTORS - 1-methylnaphthalene Sample type:Standard Sample_id (CAS)=90-12-0 SUBJECT_SAMPLE_FACTORS - 2-methylnaphthalene Sample type:Standard Sample_id (CAS)=91-57-6 SUBJECT_SAMPLE_FACTORS - Acenaphthylene Sample type:Standard Sample_id (CAS)=208-96-8 SUBJECT_SAMPLE_FACTORS - 1, 2-Dimethylnaphthalene Sample type:Standard Sample_id (CAS)=573-98-8 SUBJECT_SAMPLE_FACTORS - 1,6-Dimethylnaphthalene Sample type:Standard Sample_id (CAS)=575-43-9 SUBJECT_SAMPLE_FACTORS - 2, 7-Dimethylnaphthalene Sample type:Standard Sample_id (CAS)=582-16-1 SUBJECT_SAMPLE_FACTORS - Fluorene Sample type:Standard Sample_id (CAS)=86-73-7 SUBJECT_SAMPLE_FACTORS - Anthracene Sample type:Standard Sample_id (CAS)=120-12-7 SUBJECT_SAMPLE_FACTORS - Phenanthrene Sample type:Standard Sample_id (CAS)=85-01-8 SUBJECT_SAMPLE_FACTORS - Perinaphthenon Sample type:Standard Sample_id (CAS)=548-39-0 SUBJECT_SAMPLE_FACTORS - Acenaphthenequinone Sample type:Standard Sample_id (CAS)=82-86-0 SUBJECT_SAMPLE_FACTORS - 2-Methylanthracene Sample type:Standard Sample_id (CAS)=613-12-7 SUBJECT_SAMPLE_FACTORS - 9-Methylanthracene Sample type:Standard Sample_id (CAS)=779-02-2 SUBJECT_SAMPLE_FACTORS - Pyrene Sample type:Standard Sample_id (CAS)=129-00-0 SUBJECT_SAMPLE_FACTORS - Fluoranthene Sample type:Standard Sample_id (CAS)=206-44-0 SUBJECT_SAMPLE_FACTORS - 2, 3-Dimethylanthracene Sample type:Standard Sample_id (CAS)=613-06-9 SUBJECT_SAMPLE_FACTORS - 3.6-Dimethylphenanthrene Sample type:Standard Sample_id (CAS)=1576-67-6 SUBJECT_SAMPLE_FACTORS - Anthraquinone Sample type:Standard Sample_id (CAS)=84-65-1 SUBJECT_SAMPLE_FACTORS - Triphenylene Sample type:Standard Sample_id (CAS)=217-59-4 SUBJECT_SAMPLE_FACTORS - Benzanthrone Sample type:Standard Sample_id (CAS)=82-05-3 SUBJECT_SAMPLE_FACTORS - Aceanthrenequinone Sample type:Standard Sample_id (CAS)=6373-11-1 SUBJECT_SAMPLE_FACTORS - Pyrene-4,5 dione Sample type:Standard Sample_id (CAS)=6217-22-7 SUBJECT_SAMPLE_FACTORS - Benz(j)aceanthrylene Sample type:Standard Sample_id (CAS)=202-33-5 SUBJECT_SAMPLE_FACTORS - Benzo(b)fluoranthene Sample type:Standard Sample_id (CAS)=205-99-2 SUBJECT_SAMPLE_FACTORS - Benzo(k)fluoranthene Sample type:Standard Sample_id (CAS)=207-08-9 SUBJECT_SAMPLE_FACTORS - Benzo(a)Pyrene Sample type:Standard Sample_id (CAS)=50-32-8 SUBJECT_SAMPLE_FACTORS - 5, 12-naphthacene quinone Sample type:Standard Sample_id (CAS)=1090-13-7 SUBJECT_SAMPLE_FACTORS - Anthanthrene Sample type:Standard Sample_id (CAS)=191-26-4 SUBJECT_SAMPLE_FACTORS - Benzo(g,h,i)perylene Sample type:Standard Sample_id (CAS)=191-24-2 SUBJECT_SAMPLE_FACTORS - Indeno(1,2,3-cd)pyrene Sample type:Standard Sample_id (CAS)=193-39-5 SUBJECT_SAMPLE_FACTORS - Coronene Sample type:Standard Sample_id (CAS)=191-07-1 SUBJECT_SAMPLE_FACTORS - Dibenzo(a,h)pyrene Sample type:Standard Sample_id (CAS)=189-64-0 SUBJECT_SAMPLE_FACTORS - Paracetamol B-D-glucuronide Sample type:Standard Sample_id (CAS)=16110-10-4 SUBJECT_SAMPLE_FACTORS - Dibenzochrysene Sample type:Standard Sample_id (CAS)=191-68-4 SUBJECT_SAMPLE_FACTORS - Atrazine Sample type:Standard Sample_id (CAS)=1912-24-9 SUBJECT_SAMPLE_FACTORS - Diuron Sample type:Standard Sample_id (CAS)=330-54-1 SUBJECT_SAMPLE_FACTORS - Indaziflam Sample type:Standard Sample_id (CAS)=950782-86-2 SUBJECT_SAMPLE_FACTORS - Imazapyr Sample type:Standard Sample_id (CAS)=81334-34-1 SUBJECT_SAMPLE_FACTORS - Glufosinate Sample type:Standard Sample_id (CAS)=51276-47-2 SUBJECT_SAMPLE_FACTORS - Glyphosate Sample type:Standard Sample_id (CAS)=1071-83-6 SUBJECT_SAMPLE_FACTORS - Acetochlor Sample type:Standard Sample_id (CAS)=34256-82-1 SUBJECT_SAMPLE_FACTORS - Picloram Sample type:Standard Sample_id (CAS)=1918-02-01 SUBJECT_SAMPLE_FACTORS - Halosulfuron-methyl Sample type:Standard Sample_id (CAS)=100784-20-1 SUBJECT_SAMPLE_FACTORS - Terbutryn Sample type:Standard Sample_id (CAS)=886-50-0 SUBJECT_SAMPLE_FACTORS - Dicamba Sample type:Standard Sample_id (CAS)=1918-00-9 SUBJECT_SAMPLE_FACTORS - Metolachlor Sample type:Standard Sample_id (CAS)=51218-45-2 SUBJECT_SAMPLE_FACTORS - Hexazinone Sample type:Standard Sample_id (CAS)=51235-04-02 SUBJECT_SAMPLE_FACTORS - Pendimethalin Sample type:Standard Sample_id (CAS)=40487-42-1 SUBJECT_SAMPLE_FACTORS - Benzo[a]pyrene Sample type:Standard Sample_id (CAS)=50-32-8 SUBJECT_SAMPLE_FACTORS - HATU [2-(7-Aza-1H-benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate] Sample type:Standard Sample_id (CAS)=148893-10-1 SUBJECT_SAMPLE_FACTORS - Indomethacin Sample type:Standard Sample_id (CAS)=53-86-1 SUBJECT_SAMPLE_FACTORS - Monoethyl Phthalate Sample type:Standard Sample_id (CAS)=2306-33-4 SUBJECT_SAMPLE_FACTORS - N,0 Bis (Trimethylsilyl) Trifluoro-Acetamide Sample type:Standard Sample_id (CAS)=25561-30-2 SUBJECT_SAMPLE_FACTORS - N-Tert-Butylimethylsilyl-N-Methyl-Trifluoroacetamide Sample type:Standard Sample_id (CAS)=77377-52-7 SUBJECT_SAMPLE_FACTORS - Sulfamethazine Sample type:Standard Sample_id (CAS)=57-68-1 SUBJECT_SAMPLE_FACTORS - Purine Sample type:Standard Sample_id (CAS)=120-73-0 SUBJECT_SAMPLE_FACTORS - Hypotaurine Sample type:Standard Sample_id (CAS)=300-84-5 SUBJECT_SAMPLE_FACTORS - N-Acetylneuraminic acid Sample type:Standard Sample_id (CAS)=131-48-6 SUBJECT_SAMPLE_FACTORS - L-Kynurenine Sample type:Standard Sample_id (CAS)=2922-83-0 SUBJECT_SAMPLE_FACTORS - Pyrimidine Sample type:Standard Sample_id (CAS)=289-95-2 SUBJECT_SAMPLE_FACTORS - D-Aspartic acid Sample type:Standard Sample_id (CAS)=617-45-8 SUBJECT_SAMPLE_FACTORS - D-Glucono-1,5-lactone Sample type:Standard Sample_id (CAS)=90-80-2 SUBJECT_SAMPLE_FACTORS - Nicotinic acid Sample type:Standard Sample_id (CAS)=59-67-6 SUBJECT_SAMPLE_FACTORS - 4-Aminobutanoate Sample type:Standard Sample_id (CAS)=56-12-2 SUBJECT_SAMPLE_FACTORS - Cytosine Sample type:Standard Sample_id (CAS)=71-30-7 SUBJECT_SAMPLE_FACTORS - Pyrazole Sample type:Standard Sample_id (CAS)=288-13-1 SUBJECT_SAMPLE_FACTORS - N-Acetyl-D-glucosamine Sample type:Standard Sample_id (CAS)=7512-17-6 SUBJECT_SAMPLE_FACTORS - Glycolic acid Sample type:Standard Sample_id (CAS)=79-14-1 SUBJECT_SAMPLE_FACTORS - Gluconic Acid Sample type:Standard Sample_id (CAS)=526-95-4 SUBJECT_SAMPLE_FACTORS - (S)-Dihydroorotate Sample type:Standard Sample_id (CAS)=5988-19-2 SUBJECT_SAMPLE_FACTORS - Malonic acid Sample type:Standard Sample_id (CAS)=141-82-2 SUBJECT_SAMPLE_FACTORS - L-Pipecolate Sample type:Standard Sample_id (CAS)=3105-95-1 SUBJECT_SAMPLE_FACTORS - Tetrahydrofolate Sample type:Standard Sample_id (CAS)=135-16-0 SUBJECT_SAMPLE_FACTORS - Adenine Sample type:Standard Sample_id (CAS)=73-24-5 SUBJECT_SAMPLE_FACTORS - 5'-Methylthioadenosine Sample type:Standard Sample_id (CAS)=2457-80-9 SUBJECT_SAMPLE_FACTORS - Thymidine Sample type:Standard Sample_id (CAS)=50-89-5 SUBJECT_SAMPLE_FACTORS - D-Glycerate Sample type:Standard Sample_id (CAS)=473-81-4 SUBJECT_SAMPLE_FACTORS - Orotate Sample type:Standard Sample_id (CAS)=65-86-1 SUBJECT_SAMPLE_FACTORS - Ethanolamine phosphate Sample type:Standard Sample_id (CAS)=1071-23-4 SUBJECT_SAMPLE_FACTORS - Dihydrofolate Sample type:Standard Sample_id (CAS)=4033-27-6 SUBJECT_SAMPLE_FACTORS - Uridine 5'-monophosphate Sample type:Standard Sample_id (CAS)=58-97-9 SUBJECT_SAMPLE_FACTORS - Succinate semialdehyde Sample type:Standard Sample_id (CAS)=692-29-5 SUBJECT_SAMPLE_FACTORS - Carnosine Sample type:Standard Sample_id (CAS)=305-84-0 SUBJECT_SAMPLE_FACTORS - Nicotinamide Sample type:Standard Sample_id (CAS)=98-92-0 SUBJECT_SAMPLE_FACTORS - (S)-Malate Sample type:Standard Sample_id (CAS)=97-67-6 SUBJECT_SAMPLE_FACTORS - D-Xylose 5-phosphate Sample type:Standard Sample_id (CAS)=66768-39-6 SUBJECT_SAMPLE_FACTORS - D-Fructose 1-phosphate Sample type:Standard Sample_id (CAS)=sc-500907 SUBJECT_SAMPLE_FACTORS - Guanosine Sample type:Standard Sample_id (CAS)=118-00-3 SUBJECT_SAMPLE_FACTORS - Guanine Sample type:Standard Sample_id (CAS)=73-40-5 SUBJECT_SAMPLE_FACTORS - Adenosine Sample type:Standard Sample_id (CAS)=58-61-7 SUBJECT_SAMPLE_FACTORS - Adenosine 5'-Monophosphate Sample type:Standard Sample_id (CAS)=61-19-8 SUBJECT_SAMPLE_FACTORS - Guanosine 5'-Monophosphate Sample type:Standard Sample_id (CAS)=85-32-5 SUBJECT_SAMPLE_FACTORS - Adenosine 5'-Diphosphate Sample type:Standard Sample_id (CAS)=58-64-0 SUBJECT_SAMPLE_FACTORS - Inosine 5'-Diphosphate Sample type:Standard Sample_id (CAS)=86-04-4 SUBJECT_SAMPLE_FACTORS - Guanosine 5'-Diphosphate Sample type:Standard Sample_id (CAS)=146-91-8 SUBJECT_SAMPLE_FACTORS - Cytidine 5'-Diphosphate Sample type:Standard Sample_id (CAS)=63-38-7 SUBJECT_SAMPLE_FACTORS - Guanosine 5'-Triphosphate Sample type:Standard Sample_id (CAS)=86-01-1 SUBJECT_SAMPLE_FACTORS - Adenosine 5'-Triphosphate Sample type:Standard Sample_id (CAS)=56-65-5 SUBJECT_SAMPLE_FACTORS - Inosine 5'-Triphosphate Sample type:Standard Sample_id (CAS)=132-06-9 SUBJECT_SAMPLE_FACTORS - 2′-Deoxycytidine 5′-monophosphate Sample type:Standard Sample_id (CAS)=1032-65-1 SUBJECT_SAMPLE_FACTORS - 5,6-Dihydrouracil Sample type:Standard Sample_id (CAS)=504-07-4 SUBJECT_SAMPLE_FACTORS - (R)-Malate Sample type:Standard Sample_id (CAS)=636-61-3 SUBJECT_SAMPLE_FACTORS - L-Homoserine Sample type:Standard Sample_id (CAS)=672-15-1 SUBJECT_SAMPLE_FACTORS - Pyridoxine Sample type:Standard Sample_id (CAS)=65-23-6 SUBJECT_SAMPLE_FACTORS - 2′-Deoxyadenosine 5′-monophosphate Sample type:Standard Sample_id (CAS)=653-63-4 SUBJECT_SAMPLE_FACTORS - (R,R)-Tartaric acid Sample type:Standard Sample_id (CAS)=87-69-4 SUBJECT_SAMPLE_FACTORS - Nicotinamide mononucleotide Sample type:Standard Sample_id (CAS)=1094-61-7 SUBJECT_SAMPLE_FACTORS - Thiourea Sample type:Standard Sample_id (CAS)=62-56-6 SUBJECT_SAMPLE_FACTORS - Diethanolamine Sample type:Standard Sample_id (CAS)=111-42-2 SUBJECT_SAMPLE_FACTORS - 3-Aminoisobutyric acid Sample type:Standard Sample_id (CAS)=144-90-1 SUBJECT_SAMPLE_FACTORS - L-Cysteinylglycine Sample type:Standard Sample_id (CAS)=19246-18-5 SUBJECT_SAMPLE_FACTORS - 2-Phospho-D-glycerate Sample type:Standard Sample_id (CAS)=2553-59-5 SUBJECT_SAMPLE_FACTORS - Guanidinoacetate Sample type:Standard Sample_id (CAS)=352-97-6 SUBJECT_SAMPLE_FACTORS - N-Acetyl-D-tryptophan Sample type:Standard Sample_id (CAS)=2280-01-5 SUBJECT_SAMPLE_FACTORS - N-Acetyl-D-mannosamine Sample type:Standard Sample_id (CAS)=3615-17-6 SUBJECT_SAMPLE_FACTORS - LL-2,6-Diaminoheptanedioate Sample type:Standard Sample_id (CAS)=583-93-7 SUBJECT_SAMPLE_FACTORS - L-alpha-Aminoadipate Sample type:Standard Sample_id (CAS)=542-32-5 SUBJECT_SAMPLE_FACTORS - Deoxycytidine Sample type:Standard Sample_id (CAS)=951-77-9 SUBJECT_SAMPLE_FACTORS - L-Noradrenaline Sample type:Standard Sample_id (CAS)=51-41-2 SUBJECT_SAMPLE_FACTORS - (S,S)-Tartaric acid Sample type:Standard Sample_id (CAS)=147-71-7 SUBJECT_SAMPLE_FACTORS - 3-Dehydroshikimate Sample type:Standard Sample_id (CAS)=2922-42-1 SUBJECT_SAMPLE_FACTORS - Bis(3-aminopropyl)amine Sample type:Standard Sample_id (CAS)=56-18-8 SUBJECT_SAMPLE_FACTORS - Theophylline Sample type:Standard Sample_id (CAS)=58-55-9 SUBJECT_SAMPLE_FACTORS - 3-Sulfino-L-alanine Sample type:Standard Sample_id (CAS)=1115-65-7 SUBJECT_SAMPLE_FACTORS - O-Succinyl-L-homoserine Sample type:Standard Sample_id (CAS)=1492-23-5 SUBJECT_SAMPLE_FACTORS - D-Glucuronolactone Sample type:Standard Sample_id (CAS)=32449-92-6 SUBJECT_SAMPLE_FACTORS - 2-Aminoethylphosphonate Sample type:Standard Sample_id (CAS)=2041-14-7 SUBJECT_SAMPLE_FACTORS - L-Selenomethionine Sample type:Standard Sample_id (CAS)=3211-76-5 SUBJECT_SAMPLE_FACTORS - Maleimide Sample type:Standard Sample_id (CAS)=541-59-3 SUBJECT_SAMPLE_FACTORS - D-Glucosamine Sample type:Standard Sample_id (CAS)=3416-24-8 SUBJECT_SAMPLE_FACTORS - Paraxanthine Sample type:Standard Sample_id (CAS)=611-59-6 SUBJECT_SAMPLE_FACTORS - 2-Deoxy-D-glucose Sample type:Standard Sample_id (CAS)=154-17-6 SUBJECT_SAMPLE_FACTORS - N(pi)-Methyl-L-histidine Sample type:Standard Sample_id (CAS)=368-16-1 SUBJECT_SAMPLE_FACTORS - Galactitol Sample type:Standard Sample_id (CAS)=608-66-2 SUBJECT_SAMPLE_FACTORS - 5-Oxo-D-proline Sample type:Standard Sample_id (CAS)=4042-36-8 SUBJECT_SAMPLE_FACTORS - 4-Pyridoxate Sample type:Standard Sample_id (CAS)=82-82-6 SUBJECT_SAMPLE_FACTORS - Methylguanidine Sample type:Standard Sample_id (CAS)=471-29-4 SUBJECT_SAMPLE_FACTORS - Caffeine Sample type:Standard Sample_id (CAS)=58-08-2 SUBJECT_SAMPLE_FACTORS - Adenosine 5'-diphosphate Sample type:Standard Sample_id (CAS)=58-64-0R SUBJECT_SAMPLE_FACTORS - D-Glucuronate Sample type:Standard Sample_id (CAS)=6556-12-3 SUBJECT_SAMPLE_FACTORS - 1-Methyladenosine Sample type:Standard Sample_id (CAS)=15763-06-1 SUBJECT_SAMPLE_FACTORS - Deoxyuridine Sample type:Standard Sample_id (CAS)=951-78-0 SUBJECT_SAMPLE_FACTORS - Trans-4-Hydroxy-L-proline Sample type:Standard Sample_id (CAS)=51-35-4 SUBJECT_SAMPLE_FACTORS - Urocanate Sample type:Standard Sample_id (CAS)=104-98-3 SUBJECT_SAMPLE_FACTORS - Kynurenine Sample type:Standard Sample_id (CAS)=343-65-7 SUBJECT_SAMPLE_FACTORS - 5-Oxo-L-proline Sample type:Standard Sample_id (CAS)=98-79-3 SUBJECT_SAMPLE_FACTORS - 4-Acetamidobutanoate Sample type:Standard Sample_id (CAS)=3025-96-5 SUBJECT_SAMPLE_FACTORS - Melanin Sample type:Standard Sample_id (CAS)=8049-97-6 SUBJECT_SAMPLE_FACTORS - Dopamine Sample type:Standard Sample_id (CAS)=51-61-6 SUBJECT_SAMPLE_FACTORS - Cytidine 5'-diphosphocholine Sample type:Standard Sample_id (CAS)=987-78-0 SUBJECT_SAMPLE_FACTORS - O-phospho-L-serine Sample type:Standard Sample_id (CAS)=407-41-0 SUBJECT_SAMPLE_FACTORS - 5-Hydroxymethyluracil Sample type:Standard Sample_id (CAS)=4433-40-3 SUBJECT_SAMPLE_FACTORS - L-Norvaline Sample type:Standard Sample_id (CAS)=6600-40-4 SUBJECT_SAMPLE_FACTORS - 3-Hydroxy-3-methylglutarate Sample type:Standard Sample_id (CAS)=503-49-1 SUBJECT_SAMPLE_FACTORS - Phosphonoacetate Sample type:Standard Sample_id (CAS)=4408-78-0 SUBJECT_SAMPLE_FACTORS - Picolinic acid Sample type:Standard Sample_id (CAS)=98-98-6 SUBJECT_SAMPLE_FACTORS - 6-Deoxy-L-galactose Sample type:Standard Sample_id (CAS)=2438-80-4 SUBJECT_SAMPLE_FACTORS - N-Methyl-L-glutamate Sample type:Standard Sample_id (CAS)=35989-16-3 SUBJECT_SAMPLE_FACTORS - 3-Methylcrotonyl-CoA Sample type:Standard Sample_id (CAS)=793193-48-3 SUBJECT_SAMPLE_FACTORS - Thyrotropin-releasing hormone Sample type:Standard Sample_id (CAS)=24305-27-9 SUBJECT_SAMPLE_FACTORS - Cytidine 3'-phosphate Sample type:Standard Sample_id (CAS)=84-52-6 SUBJECT_SAMPLE_FACTORS - N-Methyl-D-aspartic acid Sample type:Standard Sample_id (CAS)=6384-92-5 SUBJECT_SAMPLE_FACTORS - Galactarate Sample type:Standard Sample_id (CAS)=526-99-8 SUBJECT_SAMPLE_FACTORS - Nicotinic acid adenine dinucleotide phosphate Sample type:Standard Sample_id (CAS)=5502-96-5 SUBJECT_SAMPLE_FACTORS - N-Alpha-Acetyl-L-Asparagine Sample type:Standard Sample_id (CAS)=4033-40-3 SUBJECT_SAMPLE_FACTORS - beta-Nicotinamide adenine dinucleotide phosphate Sample type:Standard Sample_id (CAS)=53-59-8 SUBJECT_SAMPLE_FACTORS - Carbamoyl phosphate Sample type:Standard Sample_id (CAS)=590-55-6 SUBJECT_SAMPLE_FACTORS - Isopentenyl diphosphate Sample type:Standard Sample_id (CAS)=358-71-4 SUBJECT_SAMPLE_FACTORS - Guanosine 5'-triphosphate Sample type:Standard Sample_id (CAS)=38918-96-6 SUBJECT_SAMPLE_FACTORS - Thymidine-5'-Diphospho-Alpha-D-Glucose Sample type:Standard Sample_id (CAS)=2196-62-5 SUBJECT_SAMPLE_FACTORS - Agmatine Sulfate Salt Sample type:Standard Sample_id (CAS)=306-60-5 SUBJECT_SAMPLE_FACTORS - 2'-Deoxyguanosine 5'-triphosphate Sample type:Standard Sample_id (CAS)=2564-35-4 SUBJECT_SAMPLE_FACTORS - N-Acetyl-L-aspartic acid Sample type:Standard Sample_id (CAS)=997-55-7 SUBJECT_SAMPLE_FACTORS - Inosine 5'-diphosphate Sample type:Standard Sample_id (CAS)=86-04-4 SUBJECT_SAMPLE_FACTORS - 2'-Deoxyadenosine 5'-diphosphate Sample type:Standard Sample_id (CAS)=2793-06-8 SUBJECT_SAMPLE_FACTORS - 2'-Deoxyguanosine 5'-monophosphate Sample type:Standard Sample_id (CAS)=902-04-5 SUBJECT_SAMPLE_FACTORS - Nicotinamide hypoxanthine dinucleotide Sample type:Standard Sample_id (CAS)=1851-07-6 SUBJECT_SAMPLE_FACTORS - S-Adenosyl-L-methionine Sample type:Standard Sample_id (CAS)=29908-03-0 SUBJECT_SAMPLE_FACTORS - L-Cysteic acid Sample type:Standard Sample_id (CAS)=13100-82-8 SUBJECT_SAMPLE_FACTORS - Adenosine 5'-monophosphate Sample type:Standard Sample_id (CAS)=61-19-8 SUBJECT_SAMPLE_FACTORS - D-Gluconate Sample type:Standard Sample_id (CAS)=526-95-4 SUBJECT_SAMPLE_FACTORS - Deoxycarnitine Sample type:Standard Sample_id (CAS)=407-64-7 SUBJECT_SAMPLE_FACTORS - Adenosine 2',3'-Cyclic Monophosphate Sample type:Standard Sample_id (CAS)=60-92-4 SUBJECT_SAMPLE_FACTORS - Mevalonolactone Sample type:Standard Sample_id (CAS)=674-26-0 SUBJECT_SAMPLE_FACTORS - Uridine 5′-diphosphoglucose Sample type:Standard Sample_id (CAS)=28053-08-9 SUBJECT_SAMPLE_FACTORS - γ,γ-Dimethylallyl pyrophosphate triammonium salt Sample type:Standard Sample_id (CAS)=1186-30-7 SUBJECT_SAMPLE_FACTORS - 2'-Deoxyuridine 5'-triphosphate Sample type:Standard Sample_id (CAS)=1173-82-6 SUBJECT_SAMPLE_FACTORS - Phosphocholine Sample type:Standard Sample_id (CAS)=107-73-3 #COLLECTION CO:COLLECTION_SUMMARY None #TREATMENT TR:TREATMENT_SUMMARY None #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Approximately 1 mg of each standard was weighed out in a glass vial and SP:SAMPLEPREP_SUMMARY dissolved in 1 mL of solvent. This highly concentrated solution was then diluted SP:SAMPLEPREP_SUMMARY with solvent to a 500 µM stock solution. A final solution concentration of 1 SP:SAMPLEPREP_SUMMARY µM was prepared by diluting the 500 µM solution with 80:20 methanol:water and SP:SAMPLEPREP_SUMMARY 0.1% formic acid #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Direct inject w/ ESI, APPI, APCI. No chromatography CH:CHROMATOGRAPHY_TYPE None (Direct infusion) CH:INSTRUMENT_NAME None CH:COLUMN_NAME none #ANALYSIS AN:ANALYSIS_TYPE MS AN:SOFTWARE_VERSION IM-MS Browser B.07.02 #MS MS:INSTRUMENT_NAME Agilent 6560 Ion Mobility MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS none #END