Dataset

Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic acid, Phenylacetoamidoacetic Acid, N-Phenacetylglycine

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS102803 contains the MS2 mass spectrum of Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic acid, Phenylacetoamidoacetic Acid, N-Phenacetylglycine with the InChIkey UTYVDVLMYQPLQB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)
SMILES	C1=CC=C(C=C1)CC(=O)NCC(=O)O
InChI Key	UTYVDVLMYQPLQB-UHFFFAOYSA-N
Molecular Formula	C10H11NO3
Exact Mass	193.202 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS102803
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:14:51.225135
MetadataModified	2025-02-09T19:16:56.121448
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
12658	Brenda
34323	Brenda
9441	Brenda
HMDB0000821	Human Metabolome Database
MTBLC27480	Metabolights
32980	Brenda
21326	Brenda
MCULE-5745004562	Mcule
PD124088	ProbesDrugs
60023180	NMRShiftDB
SCHEMBL196523	SureChEMBL
500-98-1	ACToR
68144	PubChem
15984006	PubChem: Thomson Pharma
1012179	eMolecules
CB0123066	ChemicalBook
184130	Brenda
HY-W015061	MedChemExpress
DTXSID40198177	EPA CompTox Dashboard
O134PDX2SP	FDA SRS
ZINC000000136391	ZINC
J11.682C	Nikkaji
C05598	KEGG Ligand
CHEMBL458497	ChEMBL
27480	ChEBI
The data in this table is sourced from UniChem at EBI.