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Indeloxazine-M (HO-N-acetyl-) MS3_2
SpectraBase Compound ID EJpAd2m3F24
InChI InChI=1S/C7H12NO2/c1-6-5-8(7(2)9)3-4-10-6/h6H,1,3-5H2,2H3/q+1
InChIKey HBIRSKNFEWXOGG-UHFFFAOYSA-N
Mol Weight 142.18 g/mol
Molecular Formula C7H12NO2
Exact Mass 142.086804 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID AY0Y002av3F
Name Indeloxazine-M (HO-N-acetyl-X-conjugate 64) MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-155.00]
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InChI InChI=1S/C7H12NO2/c1-6-5-8(7(2)9)3-4-10-6/h6H,1,3-5H2,2H3/q+1
InChIKey HBIRSKNFEWXOGG-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [CH2+]C1CN(CCO1)C(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