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4-MMA-NBOMe-M (N,O-bis-demethyl-carboxy-) MS3_2
SpectraBase Compound ID BIKi9niol8d
InChI InChI=1S/C10H10O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h2,4-7H,3H2,1H3/p+1
InChIKey RXANOVSULWDSSA-UHFFFAOYSA-O
Mol Weight 163.2 g/mol
Molecular Formula C10H11O2
Exact Mass 163.075905 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Jr8ChUxdB5X
Name 4-MMA-NBOMe-M (N,O-bis-demethyl-carboxy-) MS3_2
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-175.00]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
InChI InChI=1S/C10H10O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h2,4-7H,3H2,1H3/p+1
InChIKey RXANOVSULWDSSA-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC(C=1C=CC(=CC1)C[CH+]C)=O
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS