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Ambucetamide MS3_1
SpectraBase Compound ID 96GH4GPwivM
InChI InChI=1S/C9H9NO2/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-6H,1H3,(H-,10,11)/p+1
InChIKey KVJPYCLONRCWHO-UHFFFAOYSA-O
Mol Weight 164.18 g/mol
Molecular Formula C9H10NO2
Exact Mass 164.071154 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID AYGhUcm76n6
Name Ambucetamide MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-175.00]
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InChI InChI=1S/C9H9NO2/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-6H,1H3,(H-,10,11)/p+1
InChIKey KVJPYCLONRCWHO-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES NC([CH+]C1=CC=C(C=C1)OC)=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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS