Dataset

ORTHO-METHYLHIPPURIC ACID

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002236 contains the MS mass spectrum of ORTHO-METHYLHIPPURIC ACID with the InChIkey YOEBAVRJHRCKRE-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
SMILES	OC(=O)CNC(=O)c(c1)c(C)ccc1
InChI Key	YOEBAVRJHRCKRE-UHFFFAOYSA-N
Molecular Formula	C10H11NO3
Exact Mass	193.074 g/mol

Data and Resources

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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-JP002236
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:57:02.148663
MetadataModified	2024-01-11T15:57:02.332290
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
91637	PubChem
PD099471	ProbesDrugs
68455	ChEBI
15265941	PubChem: Thomson Pharma
SCHEMBL1285567	SureChEMBL
42013-20-7	ACToR
J47.329D	Nikkaji
MCULE-6971330465	Mcule
20143926	NMRShiftDB
HMDB0011723	Human Metabolome Database
MTBLC68455	Metabolights
75690	Brenda
DTXSID60194818	EPA CompTox Dashboard
CB2292139	ChemicalBook
ZINC000000389513	ZINC
J043BCI40Z	FDA SRS
HY-W015060	MedChemExpress
CHEMBL457228	ChEMBL
497890	eMolecules
The data in this table is sourced from UniChem at EBI.