Dataset

Fusaperazine A; LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000761 contains the MS2 mass spectrum of Fusaperazine A with the InChIkey ALVTZOKFXMRGEB-AAEUAGOBSA-N.

Chemical Information

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-AC000761
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Maintainer
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MetadataPublished 2017-07-07
Related Molecule
  • (3S,6S)-3-[(4-hydroxyphenyl)methyl]-3,6-bis(methylsulfanyl)piperazine-2,5-dione
    • 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.