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Rizatriptan-M (deamino-HO-) 2TFA
SpectraBase Compound ID AXSjiGQL6ZK
InChI InChI=1S/C17H12F6N4O3/c18-16(19,20)14(28)27-7-11(3-4-30-15(29)17(21,22)23)12-5-10(1-2-13(12)27)6-26-9-24-8-25-26/h1-2,5,7-9H,3-4,6H2
InChIKey IEOWQPGAGRLRBW-UHFFFAOYSA-N
Mol Weight 434.3 g/mol
Molecular Formula C17H12F6N4O3
Exact Mass 434.081359 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rYV2jBuruf
Name Rizatriptan-M (deamino-HO-) 2TFA
Classification Serotoninergic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 434.081359237 u
Formula C17H12F6N4O3
InChI InChI=1S/C17H12F6N4O3/c18-16(19,20)14(28)27-7-11(3-4-30-15(29)17(21,22)23)12-5-10(1-2-13(12)27)6-26-9-24-8-25-26/h1-2,5,7-9H,3-4,6H2
InChIKey IEOWQPGAGRLRBW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 434.298 g/mol
SMILES C(OC(C(F)(F)F)=O)Cc1c[n](C(C(F)(F)F)=O)c2c1cc(C[n]1ncnc1)cc2
SPLASH splash10-0a4i-2829200000-94586fea01409d3cdecb
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_5847