Dataset

4-Aminobenzamide

This MassBank record with Accession MSBNK-LCSB-LU091205 contains the MS2 mass spectrum of 4-Aminobenzamide with the InChIkey QIKYZXDTTPVVAC-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)
SMILES	NC(=O)C1=CC=C(N)C=C1
InChI Key	QIKYZXDTTPVVAC-UHFFFAOYSA-N
Molecular Formula	C7H8N2O
Exact Mass	136.064 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU091205
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T18:28:01.030347
MetadataModified	2025-02-09T14:45:13.886538
MetadataPublished	2020-08-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
AMBZAM	CCDC
HMDB0246352	Human Metabolome Database
ZINC000000157169	ZINC
DTXSID7038814	EPA CompTox Dashboard
50106190	BindingDB
J60.370H	Nikkaji
CHEMBL332444	ChEMBL
MCULE-3871926059	Mcule
20040732	NMRShiftDB
77722I6PAC	FDA SRS
CB8276951	ChemicalBook
137304	Brenda
9048	Brenda
76079	PubChem
182421	ChEBI
15016628	PubChem: Thomson Pharma
SCHEMBL56532	SureChEMBL
2835-68-9	ACToR
494675	eMolecules
The data in this table is sourced from UniChem at EBI.