Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2009-11-30 15:50:51 UTC
Update Date2021-09-14 14:58:16 UTC
HMDB IDHMDB0013200
Secondary Accession Numbers
  • HMDB13200
Metabolite Identification
Common Name5-Hydroxytryptophol glucuronide
Description5-Hydroxytryptophol glucuronide (GTOL) is the major excretion form of 5-hydroxytryptophol (5-HTOL), a minor serotonin metabolite under normal conditions. Because the concentration of 5-HTOL is markedly increased following consumption of alcohol, measurement of 5-HTOL is used as a sensitive biomarker for detection of recent alcohol intake. PMID: 15664340 . 5-Hydroxytryptophol glucuronide provided higher diagnostic specificity and sensitivity than 5-hydroxytryptophol. PMID: 17112495 .
Structure
Data?1582753100
Synonyms
ValueSource
5 Hydroxytryptophol glucuronideHMDB
5-Hydroxytryptophol glucuronideMeSH
Chemical FormulaC16H21NO7
Average Molecular Weight339.3404
Monoisotopic Molecular Weight339.131802031
IUPAC Name(2R,3R,4S,5S,6R)-2-{[3-(2-hydroxyethyl)-1H-indol-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional Name(2R,3R,4S,5S,6R)-2-{[3-(2-hydroxyethyl)-1H-indol-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
CAS Registry NumberNot Available
SMILES
OCCC1=CNC2=C1C=C(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C2
InChI Identifier
InChI=1S/C16H21NO7/c18-4-3-8-6-17-11-2-1-9(5-10(8)11)23-16-15(22)14(21)13(20)12(7-19)24-16/h1-2,5-6,12-22H,3-4,7H2/t12-,13-,14+,15-,16+/m1/s1
InChI KeyMYNVMBICAGQOMG-LJIZCISZSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPhenolic glycosides
Alternative Parents
Substituents
  • Phenolic glycoside
  • Hexose monosaccharide
  • O-glycosyl compound
  • 3-alkylindole
  • Indole
  • Indole or derivatives
  • Monosaccharide
  • Oxane
  • Substituted pyrrole
  • Benzenoid
  • Heteroaromatic compound
  • Pyrrole
  • Secondary alcohol
  • Polyol
  • Azacycle
  • Oxacycle
  • Acetal
  • Organoheterocyclic compound
  • Alcohol
  • Primary alcohol
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic nitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility4.05 g/LALOGPS
logP-0.52ALOGPS
logP-0.98ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)12.2ChemAxon
pKa (Strongest Basic)-2.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area135.4 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity82.84 m³·mol⁻¹ChemAxon
Polarizability34.06 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+176.82231661259
DarkChem[M-H]-177.91931661259
DeepCCS[M+H]+175.46830932474
DeepCCS[M-H]-173.07230932474
DeepCCS[M-2H]-206.02930932474
DeepCCS[M+Na]+181.3830932474
AllCCS[M+H]+180.032859911
AllCCS[M+H-H2O]+177.032859911
AllCCS[M+NH4]+182.732859911
AllCCS[M+Na]+183.532859911
AllCCS[M-H]-177.432859911
AllCCS[M+Na-2H]-177.432859911
AllCCS[M+HCOO]-177.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
5-Hydroxytryptophol glucuronideOCCC1=CNC2=C1C=C(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C24377.5Standard polar33892256
5-Hydroxytryptophol glucuronideOCCC1=CNC2=C1C=C(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C23282.3Standard non polar33892256
5-Hydroxytryptophol glucuronideOCCC1=CNC2=C1C=C(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C23463.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
5-Hydroxytryptophol glucuronide,1TMS,isomer #1C[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C123160.0Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,1TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@H](O)[C@@H](O)[C@@H]1O3118.6Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,1TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@H](O)[C@H]1O3116.0Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,1TMS,isomer #4C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@@H]1O3122.6Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,1TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OC1=CC=C2[NH]C=C(CCO)C2=C13126.4Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,1TMS,isomer #6C[Si](C)(C)N1C=C(CCO)C2=CC(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=C213178.7Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TMS,isomer #1C[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C=C123085.8Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TMS,isomer #10C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)O[C@@H]1CO3083.8Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@H](O)[C@H]1O[Si](C)(C)C3091.5Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TMS,isomer #12C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C)[C@H](O)[C@H]1O3114.0Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TMS,isomer #13C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@@H]1O[Si](C)(C)C3098.4Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TMS,isomer #14C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C)[C@@H]1O3118.0Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TMS,isomer #15C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OC1=CC=C2C(=C1)C(CCO)=CN2[Si](C)(C)C3128.5Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TMS,isomer #2C[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C=C123096.4Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TMS,isomer #3C[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C=C123105.6Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TMS,isomer #4C[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C=C123099.8Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TMS,isomer #5C[Si](C)(C)OCCC1=CN([Si](C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C123140.5Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3062.8Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TMS,isomer #7C[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3073.6Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TMS,isomer #8C[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3073.9Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TMS,isomer #9C[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O3114.8Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TMS,isomer #1C[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C=C123082.6Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TMS,isomer #10C[Si](C)(C)OCCC1=CN([Si](C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C=C123099.1Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TMS,isomer #11C[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3088.5Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TMS,isomer #12C[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3090.5Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TMS,isomer #13C[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3087.2Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TMS,isomer #14C[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3092.8Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TMS,isomer #15C[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3097.4Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TMS,isomer #16C[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3103.6Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TMS,isomer #17C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@@H]1O[Si](C)(C)C3125.3Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TMS,isomer #18C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C)O[C@@H]1CO3101.4Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TMS,isomer #19C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3108.9Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TMS,isomer #2C[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C=C123082.4Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TMS,isomer #20C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3119.4Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TMS,isomer #3C[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C=C123072.4Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TMS,isomer #4C[Si](C)(C)OCCC1=CN([Si](C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C=C123067.3Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TMS,isomer #5C[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C=C123106.5Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TMS,isomer #6C[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C=C123094.7Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TMS,isomer #7C[Si](C)(C)OCCC1=CN([Si](C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C=C123092.0Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TMS,isomer #8C[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=C123114.9Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TMS,isomer #9C[Si](C)(C)OCCC1=CN([Si](C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C=C123093.9Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TMS,isomer #1C[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C=C123121.4Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TMS,isomer #10C[Si](C)(C)OCCC1=CN([Si](C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=C123111.9Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TMS,isomer #11C[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3142.8Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TMS,isomer #12C[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3118.1Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TMS,isomer #13C[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3126.0Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TMS,isomer #14C[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3121.3Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TMS,isomer #15C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3150.6Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TMS,isomer #2C[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C=C123114.8Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TMS,isomer #3C[Si](C)(C)OCCC1=CN([Si](C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C=C123097.3Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TMS,isomer #4C[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=C123115.9Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TMS,isomer #5C[Si](C)(C)OCCC1=CN([Si](C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C=C123092.5Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TMS,isomer #6C[Si](C)(C)OCCC1=CN([Si](C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C=C123089.4Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TMS,isomer #7C[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=C123147.5Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TMS,isomer #8C[Si](C)(C)OCCC1=CN([Si](C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C=C123100.7Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TMS,isomer #9C[Si](C)(C)OCCC1=CN([Si](C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C=C123097.4Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,5TMS,isomer #1C[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=C123182.9Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,5TMS,isomer #2C[Si](C)(C)OCCC1=CN([Si](C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C=C123126.0Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,5TMS,isomer #3C[Si](C)(C)OCCC1=CN([Si](C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C=C123127.7Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,5TMS,isomer #4C[Si](C)(C)OCCC1=CN([Si](C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=C123117.8Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,5TMS,isomer #5C[Si](C)(C)OCCC1=CN([Si](C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=C123144.7Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,5TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3172.3Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,6TMS,isomer #1C[Si](C)(C)OCCC1=CN([Si](C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=C123181.9Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,6TMS,isomer #1C[Si](C)(C)OCCC1=CN([Si](C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=C123103.6Standard non polar33892256
5-Hydroxytryptophol glucuronide,6TMS,isomer #1C[Si](C)(C)OCCC1=CN([Si](C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=C123289.8Standard polar33892256
5-Hydroxytryptophol glucuronide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C123437.4Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@H](O)[C@@H](O)[C@@H]1O3384.8Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@H](O)[C@H]1O3381.7Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@@H]1O3390.6Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OC1=CC=C2[NH]C=C(CCO)C2=C13392.8Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)N1C=C(CCO)C2=CC(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=C213462.3Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C=C123647.1Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)O[C@@H]1CO3603.6Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3617.1Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O3618.6Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@@H]1O[Si](C)(C)C(C)(C)C3625.6Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C(C)(C)C)[C@@H]1O3613.7Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OC1=CC=C2C(=C1)C(CCO)=CN2[Si](C)(C)C(C)(C)C3622.7Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C=C123651.9Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C=C123654.8Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C=C123651.2Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C123653.8Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O3605.3Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3610.3Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3619.8Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O3612.0Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C=C123857.8Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C=C123840.8Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3819.1Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3832.3Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O3801.2Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3827.9Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3804.6Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3811.3Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@@H]1O[Si](C)(C)C(C)(C)C3840.7Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C(C)(C)C)O[C@@H]1CO3804.4Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3808.7Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C=C123854.9Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3819.7Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C=C123850.5Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C=C123817.2Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C=C123860.5Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C=C123855.7Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C=C123843.8Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C=C123867.2Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C=C123832.8Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C=C124027.2Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C=C123991.4Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3[NH]C=C(CCO)C3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4044.7Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3961.7Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3994.1Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3957.6Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H](OC2=CC=C3C(=C2)C(CCO)=CN3[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3966.1Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C=C124054.0Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C=C123991.0Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C=C124027.5Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C=C123976.9Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C=C123988.0Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCCC1=C[NH]C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C=C124035.3Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C=C123975.8Semi standard non polar33892256
5-Hydroxytryptophol glucuronide,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C=C123984.5Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 5-Hydroxytryptophol glucuronide GC-MS (Non-derivatized) - 70eV, Positivesplash10-05fr-9557000000-89dd3aa0241b0128cd5e2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-Hydroxytryptophol glucuronide GC-MS (4 TMS) - 70eV, Positivesplash10-03di-4232139000-84fe6528bd78b5a695762017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-Hydroxytryptophol glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Hydroxytryptophol glucuronide 10V, Positive-QTOFsplash10-03ml-0907000000-178fc463cf5bc07086a72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Hydroxytryptophol glucuronide 20V, Positive-QTOFsplash10-03di-0900000000-d8b916eff323e05f80eb2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Hydroxytryptophol glucuronide 40V, Positive-QTOFsplash10-03di-1900000000-5e05797ce3689ac582fe2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Hydroxytryptophol glucuronide 10V, Negative-QTOFsplash10-0550-0719000000-b1be2b51a0a1106559492017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Hydroxytryptophol glucuronide 20V, Negative-QTOFsplash10-056r-0912000000-21445bc710ab56eb35912017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Hydroxytryptophol glucuronide 40V, Negative-QTOFsplash10-057l-1900000000-26dcaa4e63466af6bb8d2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Hydroxytryptophol glucuronide 10V, Negative-QTOFsplash10-000i-0209000000-e9a1ea04a4dcc2569a6b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Hydroxytryptophol glucuronide 20V, Negative-QTOFsplash10-052r-3917000000-caeeebd4ebe3b97657322021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Hydroxytryptophol glucuronide 40V, Negative-QTOFsplash10-0a5c-2911000000-bdec3b3526b152485e042021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Hydroxytryptophol glucuronide 10V, Positive-QTOFsplash10-0006-0409000000-845ab1b873508a28afc52021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Hydroxytryptophol glucuronide 20V, Positive-QTOFsplash10-022d-0976000000-c0d6297d29b646dbaaad2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Hydroxytryptophol glucuronide 40V, Positive-QTOFsplash10-01b9-4890000000-fb016c36287a8170c4e72021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB029328
KNApSAcK IDNot Available
Chemspider ID30776699
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound53481648
PDB IDNot Available
ChEBI ID166506
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Stephanson N, Dahl H, Helander A, Beck O: Determination of urinary 5-hydroxytryptophol glucuronide by liquid chromatography-mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Feb 25;816(1-2):107-12. [PubMed:15664340 ]
  2. Dierkes J, Wolfersdorf M, Borucki K, Weinmann W, Wiesbeck G, Beck O, Borg S, Wurst FM: Determination of glucuronidated 5-hydroxytryptophol (GTOL), a marker of recent alcohol intake, by ELISA technique. Clin Biochem. 2007 Jan;40(1-2):128-31. Epub 2006 Oct 20. [PubMed:17112495 ]