Dataset

TRYPTOPHAN

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P103401_F638 contains the MS2 mass spectrum of TRYPTOPHAN with the InChIkey QIVBCDIJIAJPQS-SECBINFHSA-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)/t9-/m1/s1
SMILES	N[C@H](CC1=CNC2=CC=CC=C12)C(O)=O
InChI Key	QIVBCDIJIAJPQS-SECBINFHSA-N
Molecular Formula	C11H12N2O2
Exact Mass	204.090 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P103401_F638
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:32:26.545449
MetadataModified	2024-01-11T09:32:26.750695
MetadataPublished	2021-12-10

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DTXSID0046989	EPA CompTox Dashboard
ZINC000000083317	ZINC
HY-W012479	MedChemExpress
50043799	BindingDB
CB2280905	ChemicalBook
HMDB0013609	Human Metabolome Database
821	Brenda
DB03225	DrugBank
1728	Brenda
MTBLC57719	Metabolights
MTBLC16296	Metabolights
57719	Rhea
6923517	PubChem
9060	PubChem
PD001170	ProbesDrugs
7NS97N9H1G	FDA SRS
SCHEMBL92677	SureChEMBL
27813-82-7	ACToR
14748760	PubChem: Thomson Pharma
J9.185E	Nikkaji
BEBCAP	CCDC
5798	Guide to Pharmacology
MCULE-4102614655	Mcule
MCULE-9808999085	Mcule
30095883	NMRShiftDB
CHEMBL292303	ChEMBL
C00525	KEGG Ligand
16296	ChEBI
DTR	PDBe
57719	ChEBI
533034	eMolecules
The data in this table is sourced from UniChem at EBI.