Dataset

Fusaperazine A

This MassBank record with Accession MSBNK-AAFC-AC000760 contains the MS2 mass spectrum of Fusaperazine A with the InChIkey ALVTZOKFXMRGEB-AAEUAGOBSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H16N2O3S2/c1-19-11-10(17)15-13(20-2,12(18)14-11)7-8-3-5-9(16)6-4-8/h3-6,11,16H,7H2,1-2H3,(H,14,18)(H,15,17)/t11-,13-/m0/s1
SMILES CS[C@H]1C(=O)N[C@@](C(=O)N1)(CC2=CC=C(C=C2)O)SC
InChI Key ALVTZOKFXMRGEB-AAEUAGOBSA-N
Molecular Formula C13H16N2O3S2
Exact Mass 312.060 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-AAFC-AC000760
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:24:39.343570
MetadataModified 2024-01-11T09:24:39.518833
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
10267534 PubChem
ZINC000014443952 ZINC
DTXSID60894003 EPA CompTox Dashboard
J1.788.478F Nikkaji
70075619 NMRShiftDB
15272295 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.