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Melatonin TFA
SpectraBase Compound ID A0cB1KRakcn
InChI InChI=1S/C15H15F3N2O3/c1-9(21)19-6-5-10-8-20(14(22)15(16,17)18)13-4-3-11(23-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,19,21)
InChIKey PXNPAYOZZZXCFA-UHFFFAOYSA-N
Mol Weight 328.29 g/mol
Molecular Formula C15H15F3N2O3
Exact Mass 328.103477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8SAY6A7n237
Name Melatonin TFA
Classification Sedative
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 328.103476837 u
Formula C15H15F3N2O3
InChI InChI=1S/C15H15F3N2O3/c1-9(21)19-6-5-10-8-20(14(22)15(16,17)18)13-4-3-11(23-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,19,21)
InChIKey PXNPAYOZZZXCFA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 328.291 g/mol
SMILES c1(cc2c(cc1)[n](cc2CCNC(C)=O)C(=O)C(F)(F)F)OC
SPLASH splash10-014i-2790000000-5426db3bce0a3d65581e
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_5914