Dataset

3-Phenoxybenzylalcohol

This MassBank record with Accession MSBNK-Eawag-EA032502 contains the MS2 mass spectrum of 3-Phenoxybenzylalcohol with the InChIkey KGANAERDZBAECK-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2
SMILES	c1(Oc2ccccc2)cc(ccc1)CO
InChI Key	KGANAERDZBAECK-UHFFFAOYSA-N
Molecular Formula	C13H12O2
Exact Mass	200.084 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA032502
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T13:36:18.009140
MetadataModified	2025-02-09T10:37:46.944242
MetadataPublished	2014-01-14

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
13826-35-2	ACToR
0OO	PDBe
SCHEMBL358425	SureChEMBL
16215334	PubChem: Thomson Pharma
26295	PubChem
486905	eMolecules
62527	Rhea
CB7329070	ChemicalBook
MTBLC62527	Metabolights
7657	Brenda
20208424	NMRShiftDB
CHEMBL1869836	ChEMBL
62527	ChEBI
HMDB0245967	Human Metabolome Database
J60.251E	Nikkaji
ZINC000000391848	ZINC
DTXSID7027756	EPA CompTox Dashboard
04964J25DQ	FDA SRS
MCULE-7166224663	Mcule
10514	Brenda
The data in this table is sourced from UniChem at EBI.