Dataset

Norgestimate; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-WANA022201AD6CPH contains the MS2 mass spectrum of Norgestimate with the InChIkey KIQQMECNKUGGKA-NMYWJIRASA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/b24-17+/t18-,19+,20+,21-,22-,23-/m0/s1
SMILES CC[C@]12CC[C@H]3[C@@H](CCC4=C\C(CC[C@H]34)=N\O)[C@@H]1CC[C@@]2(OC(C)=O)C#C
InChI Key KIQQMECNKUGGKA-NMYWJIRASA-N
Molecular Formula C23H31NO3
Exact Mass 369.230 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-WANA022201AD6CPH
Version
Author
Maintainer
Language
MetadataPublished 2023-08-12
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    The data in this table is sourced from UniChem at EBI.