Dataset

Tryptophanol (not validated)

This MassBank record with Accession MSBNK-RIKEN-PR310882 contains the MS2 mass spectrum of Tryptophanol (not validated) with the InChIkey MBBOMCVGYCRMEA-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2
SMILES	OCCC2=CNC1=CC=CC=C12
InChI Key	MBBOMCVGYCRMEA-UHFFFAOYSA-N
Molecular Formula	C10H11NO
Exact Mass	161.204 g/mol

Data and Resources

Tryptophanol (not validated)HTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310882
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T19:51:17.666779
MetadataModified	2025-02-09T18:30:58.717886
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
17890	ChEBI
CHEMBL226545	ChEMBL
C00955	KEGG Ligand
HY-W010155	MedChemExpress
DTXSID2060173	EPA CompTox Dashboard
92686	BindingDB
J6.661C	Nikkaji
ZINC000000003252	ZINC
10685	PubChem
20191947	NMRShiftDB
MCULE-8363712085	Mcule
CB0782869	ChemicalBook
HMDB0003447	Human Metabolome Database
MTBLC17890	Metabolights
16004	Brenda
20311	Brenda
93687	Brenda
64974	Brenda
152001	Brenda
25532	Brenda
35421	Brenda
ZCW	PDBe
17890	Rhea
108311	Brenda
PD088364	ProbesDrugs
15321738	PubChem: Thomson Pharma
SCHEMBL196126	SureChEMBL
5809LZ7G1U	FDA SRS
519310	eMolecules
The data in this table is sourced from UniChem at EBI.