Dataset

Spirotetramat BYI08330-monohydroxy; LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01131209 contains the MS2 mass spectrum of Spirotetramat BYI08330-monohydroxy with the InChIkey HPQGJNTUXNUIDL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H25NO3/c1-11-4-5-12(2)14(10-11)15-16(20)18(19-17(15)21)8-6-13(22-3)7-9-18/h4-5,10,13,15-16,20H,6-9H2,1-3H3,(H,19,21)
SMILES CC1=CC(=C(C=C1)C)C2C(C3(CCC(CC3)OC)NC2=O)O
InChI Key HPQGJNTUXNUIDL-UHFFFAOYSA-N
Molecular Formula C18H25NO3
Exact Mass 303.183 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01131209
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MetadataPublished 2023-04-27
Related Molecule
  • 3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one
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    Measurement Technique liquid chromatography-mass spectrometry
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    Data-Source Molecule ID Data-Source
    9879500 PubChem
    14845552 PubChem: Thomson Pharma
    DTXSID70432253 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.