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 2024-01-11T15:56:08.501031
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
478867 eMolecules
5409M6Z67M FDA SRS
538-68-1 ACToR
27458-20-4 ACToR
16214218 PubChem: Thomson Pharma
J6.376B Nikkaji
MCULE-8118768843 Mcule
176693 ChEBI
DTXSID6022054 EPA CompTox Dashboard
HURNUD CCDC
3H2 PDBe
ZINC000001699444 ZINC
175818 Brenda
20025123 NMRShiftDB
CB9339077 ChemicalBook
HMDB0059834 Human Metabolome Database
SCHEMBL35869 SureChEMBL
10864 PubChem
The data in this table is sourced from UniChem at EBI.