Dataset

4-METHOXYBENZYLAMINE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011883 contains the MS mass spectrum of 4-METHOXYBENZYLAMINE with the InChIkey IDPURXSQCKYKIJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3
SMILES NCc(c1)ccc(OC)c1
InChI Key IDPURXSQCKYKIJ-UHFFFAOYSA-N
Molecular Formula C8H11NO
Exact Mass 137.084 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP011883
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:59.658449
MetadataModified 2024-01-11T15:55:59.812579
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PZM PDBe
CHEMBL12720 ChEMBL
526905 eMolecules
50408784 BindingDB
ZINC000000157596 ZINC
DTXSID2062371 EPA CompTox Dashboard
62257 Brenda
CB8326324 ChemicalBook
15412 Brenda
2393-23-9 ACToR
SCHEMBL8755 SureChEMBL
15120013 PubChem: Thomson Pharma
49837 ChEBI
J101.237A Nikkaji
MCULE-1657332685 Mcule
75452 PubChem
20032298 NMRShiftDB
The data in this table is sourced from UniChem at EBI.