Dataset

PENTYL BENZENE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008572 contains the MS mass spectrum of PENTYL BENZENE with the InChIkey PWATWSYOIIXYMA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3
SMILES CCCCCc(c1)cccc1
InChI Key PWATWSYOIIXYMA-UHFFFAOYSA-N
Molecular Formula C11H16
Exact Mass 148.125 g/mol

Data and Resources

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-JP008572
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:08.327747
MetadataModified 2025-02-09T11:34:56.873232
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-8118768843 Mcule
ZINC000001699444 ZINC
3H2 PDBe
176693 ChEBI
HURNUD CCDC
J6.376B Nikkaji
DTXSID6022054 EPA CompTox Dashboard
478867 eMolecules
5409M6Z67M FDA SRS
538-68-1 ACToR
27458-20-4 ACToR
16214218 PubChem: Thomson Pharma
175818 Brenda
20025123 NMRShiftDB
HMDB0059834 Human Metabolome Database
CB9339077 ChemicalBook
SCHEMBL35869 SureChEMBL
10864 PubChem
The data in this table is sourced from UniChem at EBI.