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	2024-01-11T15:56:37.011195
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL1606391	ChEMBL
481576	eMolecules
5108	Brenda
CB9690882	ChemicalBook
HMDB0033962	Human Metabolome Database
34822	Brenda
61245	Brenda
69359	Brenda
35863	Brenda
133694	Brenda
ZINC000001747839	ZINC
DTXSID6041638	EPA CompTox Dashboard
88817	ChEBI
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
J44.158I	Nikkaji
MCULE-7537660546	Mcule
31234	PubChem
10005752	NMRShiftDB
The data in this table is sourced from UniChem at EBI.