Dataset

Tryptophan

This MassBank record with Accession MSBNK-Fiocruz-FIO00634 contains the MS2 mass spectrum of Tryptophan with the InChIkey QIVBCDIJIAJPQS-VIFPVBQESA-N.

Chemical Info

molecular Image
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-/m0/s1
SMILES C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N
InChI Key QIVBCDIJIAJPQS-VIFPVBQESA-N
Molecular Formula C11H12N2O2
Exact Mass 204.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00634
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:39:04.525247
MetadataModified 2024-01-11T16:39:04.713536
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15195597 PubChem: Thomson Pharma
6305 PubChem
60018670 NMRShiftDB
260101 Brenda
14916602 PubChem: Thomson Pharma
8DUH1N11BX FDA SRS
trp_L Recon
6912-86-3 ACToR
PD002096 ProbesDrugs
MTBLC16828 Metabolights
CB3750054 ChemicalBook
107452 Brenda
420 Brenda
817 Brenda
119 Brenda
888 Brenda
tryptophan DailyMed
PA10323 PharmGKB
MTBLC57912 Metabolights
57912 Rhea
HMDB0000929 Human Metabolome Database
107453 Brenda
MCULE-3721322622 Mcule
MCULE-8004234494 Mcule
6923516 PubChem
26755894 eMolecules
533030 eMolecules
DB00150 DrugBank
24714971 PubChem: Drugs of the Future
C00078 KEGG Ligand
CHEMBL54976 ChEMBL
717 Guide to Pharmacology
57912 ChEBI
16828 ChEBI
TRP PDBe
229596 Brenda
21974 BindingDB
TRYPTOPHAN DailyMed
TRYPTOPHAN rxnorm
L-TRYPTOPHAN clinicaltrials
TRYPTOPHAN clinicaltrials
HY-N0623 MedChemExpress
DTXSID5021419 EPA CompTox Dashboard
2780 DrugCentral
ZINC000000083315 ZINC
SCHEMBL7328 SureChEMBL
J9.181B Nikkaji
VIXQOK CCDC
SCHEMBL23141133 SureChEMBL
The data in this table is sourced from UniChem at EBI.