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Melatonin PFP
SpectraBase Compound ID 5SmK5oUAbVe
InChI InChI=1S/C16H15F5N2O3/c1-9(24)22-6-5-10-8-23(14(25)15(17,18)16(19,20)21)13-4-3-11(26-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,22,24)
InChIKey RSZDATGQSDVUCM-UHFFFAOYSA-N
Mol Weight 378.3 g/mol
Molecular Formula C16H15F5N2O3
Exact Mass 378.100283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqNqiRfLSnC
Name Melatonin PFP
Classification Sedative
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Exact Mass 378.100283163 u
Formula C16H15F5N2O3
InChI InChI=1S/C16H15F5N2O3/c1-9(24)22-6-5-10-8-23(14(25)15(17,18)16(19,20)21)13-4-3-11(26-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,22,24)
InChIKey RSZDATGQSDVUCM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 378.299 g/mol
SMILES c1(cc2c(cc1)[n](cc2CCNC(C)=O)C(=O)C(C(F)(F)F)(F)F)OC
SPLASH splash10-014i-3908000000-c71890bff6617b28892e
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_5916