Dataset

PARA-AMINOBENZOIC ACID

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010333 contains the MS mass spectrum of PARA-AMINOBENZOIC ACID with the InChIkey ALYNCZNDIQEVRV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
SMILES Nc(c1)ccc(c1)C(O)=O
InChI Key ALYNCZNDIQEVRV-UHFFFAOYSA-N
Molecular Formula C7H7NO2
Exact Mass 137.048 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-JP010333
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:02.506619
MetadataModified 2024-01-11T15:55:02.678831
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DB02362 DrugBank
C00568 KEGG Ligand
PAB PDBe
30753 ChEBI
CHEMBL542 ChEMBL
476466 eMolecules
MTBLC194474 Metabolights
194474 ChEBI
AMBNAC CCDC
J5.852A Nikkaji
10008624 NMRShiftDB
MCULE-3535374816 Mcule
978 PubChem
PD008010 ProbesDrugs
15321436 PubChem: Thomson Pharma
150-13-0 ACToR
SCHEMBL8249 SureChEMBL
TL2TJE8QTX FDA SRS
POTASSIUM AMINOBENZOATE clinicaltrials
AMINOBENZOIC ACID clinicaltrials
1195 Brenda
45809 Brenda
DTXSID6024466 EPA CompTox Dashboard
2049 DrugCentral
ZINC000000000920 ZINC
50145829 BindingDB
AMINOBENZOIC ACID DailyMed
SODIUM AMINOBENZOATE rxnorm
4-AMINOBENZOIC ACID rxnorm
4-AMINOBENZOATE rxnorm
POTABA rxnorm
AMINOBENZOATE rxnorm
P-AMINOBENZOIC ACID clinicaltrials
AMINOBENZOATE POTASSIUM clinicaltrials
HY-B1008 MedChemExpress
1491 Brenda
1539 Brenda
211108 Brenda
CB4212038 ChemicalBook
32540 Brenda
108388 Brenda
HMDB0001392 Human Metabolome Database
aminobenzoic acid DailyMed
114598 Brenda
MTBLC30753 Metabolights
The data in this table is sourced from UniChem at EBI.