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Zolmitriptan 2TMS
SpectraBase Compound ID LoAiO0BntWb
InChI InChI=1S/C22H37N3O2Si2/c1-23(2)12-11-18-15-24(28(3,4)5)21-10-9-17(14-20(18)21)13-19-16-27-22(26)25(19)29(6,7)8/h9-10,14-15,19H,11-13,16H2,1-8H3
InChIKey KMNUWPMKUTULSF-UHFFFAOYSA-N
Mol Weight 431.7 g/mol
Molecular Formula C22H37N3O2Si2
Exact Mass 431.242431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vQPA08H8C
Name Zolmitriptan 2TMS
Classification Antimigraine
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Exact Mass 431.242430511 u
Formula C22H37N3O2Si2
InChI InChI=1S/C22H37N3O2Si2/c1-23(2)12-11-18-15-24(28(3,4)5)21-10-9-17(14-20(18)21)13-19-16-27-22(26)25(19)29(6,7)8/h9-10,14-15,19H,11-13,16H2,1-8H3
InChIKey KMNUWPMKUTULSF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 431.727 g/mol
SMILES c1c2c(cc(c1)CC1COC(N1[Si](C)(C)C)=O)c(CCN(C)C)c[n]2[Si](C)(C)C
SPLASH splash10-0a4i-9010000000-ca1bc5602cfb9d4b7c75
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_8384