Dataset

(R)-2-Hydroxy-2-phenylacetate, (R)-2-Hydroxy-2-phenylacetic acid, D-2-Phenylglycolic acid, (R)-(-)-mandelic acid, (R)-Mandelate, D-(-)-Amygdalic Acid, D(-)-Mandelic acid

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS103703 contains the MS2 mass spectrum of (R)-2-Hydroxy-2-phenylacetate, (R)-2-Hydroxy-2-phenylacetic acid, D-2-Phenylglycolic acid, (R)-(-)-mandelic acid, (R)-Mandelate, D-(-)-Amygdalic Acid, D(-)-Mandelic acid with the InChIkey IWYDHOAUDWTVEP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
SMILES C1=CC=C(C=C1)C(C(=O)O)O
InChI Key IWYDHOAUDWTVEP-UHFFFAOYSA-N
Molecular Formula C8H8O3
Exact Mass 152.149 g/mol

Data and Resources

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-PS103703
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:33:50.580546
MetadataModified 2025-02-09T19:06:15.060080
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
525524 eMolecules
SCHEMBL1050 SureChEMBL
PD013735 ProbesDrugs
15194756 PubChem: Thomson Pharma
15769-78-5 ACToR
244621 Brenda
17199-29-0 ACToR
611-71-2 ACToR
90-64-2 ACToR
170238 Brenda
CB3287471 ChemicalBook
CB0287470 ChemicalBook
MTBLC35825 Metabolights
37085 Brenda
102726 Brenda
5573 Brenda
49558 Brenda
9909 Brenda
49492 Brenda
25609 Brenda
2970 Brenda
1292 PubChem
10005707 NMRShiftDB
35825 ChEBI
MCULE-3206518139 Mcule
106270 Brenda
DB13218 DrugBank
MANDELIC ACID clinicaltrials
HY-W015591 MedChemExpress
NH496X0UJX FDA SRS
J2.433.033H Nikkaji
J2.433.034F Nikkaji
DTXSID6023234 EPA CompTox Dashboard
1629 DrugCentral
J3.918G Nikkaji
FEGHAA CCDC
92715 BindingDB
MANDELIC ACID rxnorm
CHEMBL1609 ChEMBL
The data in this table is sourced from UniChem at EBI.