Dataset

6-Fluoro-DL-tryptophan

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80545 contains the MS mass spectrum of 6-Fluoro-DL-tryptophan with the InChIkey YMEXGEAJNZRQEH-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)
SMILES	C1=CC2=C(C=C1F)NC=C2CC(C(=O)O)N
InChI Key	YMEXGEAJNZRQEH-UHFFFAOYSA-N
Molecular Formula	C11H11FN2O2
Exact Mass	222.080 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80545
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:29:06.626027
MetadataModified	2024-01-11T22:29:06.778180
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-1286010028	Mcule
MolPort-000-141-400	MolPort
HMDB0247058	Human Metabolome Database
J3.016.033I	Nikkaji
5126	Guide to Pharmacology
SCHEMBL18029199	SureChEMBL
3I7LZ8M32B	FDA SRS
522657	PubChem
94937	PubChem
15341314	PubChem: Thomson Pharma
182183	ChEBI
SCHEMBL248870	SureChEMBL
PD017652	ProbesDrugs
29966	Brenda
132672	Brenda
9082	Brenda
4677	Brenda
173393	Brenda
DTXSID00874167	EPA CompTox Dashboard
CB3764974	ChemicalBook
CHEMBL472222	ChEMBL
538480	eMolecules
The data in this table is sourced from UniChem at EBI.