Dataset

Austricine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00564 contains the MS2 mass spectrum of Austricine with the InChIkey YMUOZXZDDBRJEP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H18O4/c1-6-4-10(17)13-8(3)15(18)19-14(13)12-7(2)5-9(16)11(6)12/h5,8,10,12-14,17H,4H2,1-3H3
SMILES CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)C)C)O
InChI Key YMUOZXZDDBRJEP-UHFFFAOYSA-N
Molecular Formula C15H18O4
Exact Mass 262.121 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00564
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:24:04.633750
MetadataModified 2024-01-11T22:24:04.816706
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-9823859068 Mcule
HMDB0303511 Human Metabolome Database
70003558 NMRShiftDB
PD053419 ProbesDrugs
99114 PubChem
10180-88-8 ACToR
35879-92-6 ACToR
181961 ChEBI
CHEMBL1625152 ChEMBL
The data in this table is sourced from UniChem at EBI.