Dataset

S-Methoprene; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01094901 contains the MS2 mass spectrum of S-Methoprene with the InChIkey NFGXHKASABOEEW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3
SMILES CC(C)OC(=O)C=C(C)C=CCC(C)CCCC(C)(C)OC
InChI Key NFGXHKASABOEEW-UHFFFAOYSA-N
Molecular Formula C19H34O3
Exact Mass 310.251 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-Eawag-EQ01094901
Version
Author
Maintainer
Language
MetadataPublished 2023-08-10
Related Molecule
  • propan-2-yl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-9262524932 Mcule
    38532 PubChem
    PD029296 ProbesDrugs
    39257 ChEBI
    HMDB0245466 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.