Dataset

3-PHENYL-1-PROPANOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005847 contains the MS mass spectrum of 3-PHENYL-1-PROPANOL with the InChIkey VAJVDSVGBWFCLW-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
SMILES	OCCCc(c1)cccc1
InChI Key	VAJVDSVGBWFCLW-UHFFFAOYSA-N
Molecular Formula	C9H12O
Exact Mass	136.089 g/mol

Data and Resources

3-PHENYL-1-PROPANOLHTML
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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-JP005847
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:56:36.815048
MetadataModified	2025-02-09T12:40:31.271185
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL1606391	ChEMBL
DTXSID6041638	EPA CompTox Dashboard
ZINC000001747839	ZINC
88817	ChEBI
J44.158I	Nikkaji
PD065272	ProbesDrugs
244256	Brenda
15461952	PubChem: Thomson Pharma
1335-12-2	ACToR
93842-54-7	ACToR
122-97-4	ACToR
SCHEMBL1922	SureChEMBL
U04IC2765C	FDA SRS
481576	eMolecules
CB9690882	ChemicalBook
133694	Brenda
35863	Brenda
5108	Brenda
69359	Brenda
61245	Brenda
34822	Brenda
HMDB0033962	Human Metabolome Database
10005752	NMRShiftDB
MCULE-7537660546	Mcule
31234	PubChem
The data in this table is sourced from UniChem at EBI.