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Glaucine MS3_1
SpectraBase Compound ID 2zEqDEuiCpm
InChI InChI=1S/C20H21O4/c1-6-12-9-18(23-4)20(24-5)19-14(12)8-7-13-10-16(21-2)17(22-3)11-15(13)19/h7-11H,1,6H2,2-5H3/q+1
InChIKey SRKJFIDKVSDVML-UHFFFAOYSA-N
Mol Weight 325.38 g/mol
Molecular Formula C20H21O4
Exact Mass 325.143984 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Dds6Vb13BwI
Name Glaucine-M (N-oxide) MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-340.00]
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InChI InChI=1S/C20H21O4/c1-6-12-9-18(23-4)20(24-5)19-14(12)8-7-13-10-16(21-2)17(22-3)11-15(13)19/h7-11H,1,6H2,2-5H3/q+1
InChIKey SRKJFIDKVSDVML-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C1=CC2=C(C3=C1C(C[CH2+])=CC(=C3OC)OC)C=C(C(=C2)OC)OC
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