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Sumatriptan ME
SpectraBase Compound ID 43JvKQs3cS6
InChI InChI=1S/C15H23N3O2S/c1-16-21(19,20)11-12-5-6-15-14(9-12)13(10-18(15)4)7-8-17(2)3/h5-6,9-10,16H,7-8,11H2,1-4H3
InChIKey WQBQMNXMUYYUJL-UHFFFAOYSA-N
Mol Weight 309.43 g/mol
Molecular Formula C15H23N3O2S
Exact Mass 309.151098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7fYXaitnCz
Name Sumatriptan ME
Classification Antimigraine
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 309.151098165 u
Formula C15H23N3O2S
InChI InChI=1S/C15H23N3O2S/c1-16-21(19,20)11-12-5-6-15-14(9-12)13(10-18(15)4)7-8-17(2)3/h5-6,9-10,16H,7-8,11H2,1-4H3
InChIKey WQBQMNXMUYYUJL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 309.428 g/mol
SMILES c1cc2[n](cc(CCN(C)C)c2cc1CS(NC)(=O)=O)C
SPLASH splash10-0a4i-9400000000-f4194c5c07be6e442627
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_7702