Dataset

2-Hydroxyphenylacetic acid, 2-Hydroxyphenylacetate, 2-Hydroxy-2-phenylacetic Acid

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS099501 contains the MS2 mass spectrum of 2-Hydroxyphenylacetic acid, 2-Hydroxyphenylacetate, 2-Hydroxy-2-phenylacetic Acid with the InChIkey CCVYRRGZDBSHFU-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
SMILES	C1=CC=C(C(=C1)CC(=O)O)O
InChI Key	CCVYRRGZDBSHFU-UHFFFAOYSA-N
Molecular Formula	C8H8O3
Exact Mass	152.149 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-PS099501
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:06:31.802437
MetadataModified	2024-01-11T21:06:31.958155
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
11970	PubChem
PD099467	ProbesDrugs
UK3R9Q59AV	FDA SRS
15194754	PubChem: Thomson Pharma
SCHEMBL72309	SureChEMBL
614-75-5	ACToR
10008771	NMRShiftDB
MCULE-1517169773	Mcule
J27.607C	Nikkaji
149251	Brenda
6428	Brenda
15499	Brenda
50161	Brenda
MTBLC28478	Metabolights
CB4418407	ChemicalBook
219232	Brenda
HMDB0000669	Human Metabolome Database
ZINC000000164777	ZINC
16426	BindingDB
DTXSID1060633	EPA CompTox Dashboard
HY-W015590	MedChemExpress
C05852	KEGG Ligand
CHEMBL240714	ChEMBL
28478	ChEBI
OHP	PDBe
521509	eMolecules
The data in this table is sourced from UniChem at EBI.