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QMiPSB-M/A (-COOH) ME
SpectraBase Compound ID K2gA7Nfl9Ke
InChI InChI=1S/C12H17NO4S/c1-8(2)13-18(15,16)11-7-10(12(14)17-4)6-5-9(11)3/h5-8,13H,1-4H3
InChIKey XDIVQMJRZYXVLM-UHFFFAOYSA-N
Mol Weight 271.33 g/mol
Molecular Formula C12H17NO4S
Exact Mass 271.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3S9kLrWxPV
Name QMiPSB-M/A (-COOH) ME
Classification Cannabinoid
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 271.087829201 u
Formula C12H17NO4S
InChI InChI=1S/C12H17NO4S/c1-8(2)13-18(15,16)11-7-10(12(14)17-4)6-5-9(11)3/h5-8,13H,1-4H3
InChIKey XDIVQMJRZYXVLM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 271.331 g/mol
SMILES c1cc(cc(c1C)S(=O)(=O)NC(C)C)C(OC)=O
SPLASH splash10-0btm-7960000000-81f9ed6b1c07dffe4ac0
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
Synonyms SGT-46-M/A (-COOH) ME
Technique GC/MS
Wiley ID MMPW6e_10773