Dataset

BENZYL TIGLATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006843 contains the MS mass spectrum of BENZYL TIGLATE with the InChIkey QRGSTISKDZCDHV-XCVCLJGOSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H14O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3/b10-3+
SMILES CC=C(C)C(=O)OCc(c1)cccc1
InChI Key QRGSTISKDZCDHV-XCVCLJGOSA-N
Molecular Formula C12H14O2
Exact Mass 190.099 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-JP006843
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:40.430235
MetadataModified 2024-01-11T15:56:40.611936
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
595935 eMolecules
CB9308682 ChemicalBook
HMDB0032177 Human Metabolome Database
ZINC000001695462 ZINC
DTXSID3047130 EPA CompTox Dashboard
60018912 NMRShiftDB
187225 ChEBI
SCHEMBL873995 SureChEMBL
67UEP899RR FDA SRS
37526-88-8 ACToR
67674-41-3 ACToR
16179262 PubChem: Thomson Pharma
CHEMBL3186295 ChEMBL
J184.208K Nikkaji
250096 PubChem
J333.293D Nikkaji
The data in this table is sourced from UniChem at EBI.