Dataset

L-Tryptophan

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01191 contains the MS2 mass spectrum of L-Tryptophan with the InChIkey QIVBCDIJIAJPQS-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)
SMILES	C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N
InChI Key	QIVBCDIJIAJPQS-UHFFFAOYSA-N
Molecular Formula	C11H12N2O2
Exact Mass	204.090 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-BML01191
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:26:11.534537
MetadataModified	2024-01-11T22:26:11.703017
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
4099458	PubChem
J314.694D	Nikkaji
1148	PubChem
MCULE-5675773208	Mcule
SCHEMBL7327	SureChEMBL
10016970	NMRShiftDB
PD039179	ProbesDrugs
14941072	PubChem: Thomson Pharma
64554	ChEBI
DTXSID0021418	EPA CompTox Dashboard
DEZHIZ	CCDC
92685	BindingDB
LSM-36836	LINCS
HY-W012480	MedChemExpress
X9U7434L7A	FDA SRS
SCHEMBL23141136	SureChEMBL
MTBLC64554	Metabolights
CB6107772	ChemicalBook
MTBLC27897	Metabolights
109814	Brenda
SCHEMBL19161120	SureChEMBL
195522	Brenda
13059	Brenda
HMDB0030396	Human Metabolome Database
484485	eMolecules
CHEMBL484901	ChEMBL
27897	ChEBI
C00806	KEGG Ligand
The data in this table is sourced from UniChem at EBI.