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Zolmitriptan TFA
SpectraBase Compound ID 97FylYXYBnn
InChI InChI=1S/C18H20F3N3O3/c1-23(2)6-5-12-9-24(16(25)18(19,20)21)15-4-3-11(8-14(12)15)7-13-10-27-17(26)22-13/h3-4,8-9,13H,5-7,10H2,1-2H3,(H,22,26)
InChIKey BSPUSVYCUGYQPE-UHFFFAOYSA-N
Mol Weight 383.37 g/mol
Molecular Formula C18H20F3N3O3
Exact Mass 383.145676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IS6rMZe3E9
Name Zolmitriptan TFA
Classification Antimigraine
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Exact Mass 383.145676002 u
Formula C18H20N3O3F3
InChI InChI=1S/C18H20F3N3O3/c1-23(2)6-5-12-9-24(16(25)18(19,20)21)15-4-3-11(8-14(12)15)7-13-10-27-17(26)22-13/h3-4,8-9,13H,5-7,10H2,1-2H3,(H,22,26)
InChIKey BSPUSVYCUGYQPE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 383.371 g/mol
SMILES c1c2[n](cc(CCN(C)C)c2cc(c1)CC1COC(N1)=O)C(=O)C(F)(F)F
SPLASH splash10-0a4i-9100000000-eeda83502b98fcf9f926
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_8385