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Lirioferrine MS3_2
SpectraBase Compound ID HmzufBCyzgn
InChI InChI=1S/C18H15O3/c1-4-11-6-8-16(20-2)18-13(11)7-5-12-9-15(19)17(21-3)10-14(12)18/h5-7,9-10H,1,4H2,2-3H3/p+1
InChIKey YMLFWOYZEOIQBK-UHFFFAOYSA-O
Mol Weight 280.32 g/mol
Molecular Formula C18H16O3
Exact Mass 280.109944 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7hfRyQiqUCa
Name Glaucine-M (9-O-demethyl-) MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-295.00]
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InChI InChI=1S/C18H15O3/c1-4-11-6-8-16(20-2)18-13(11)7-5-12-9-15(19)17(21-3)10-14(12)18/h5-7,9-10H,1,4H2,2-3H3/p+1
InChIKey YMLFWOYZEOIQBK-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC1=C(OC)C=C2C3=C(OC)[C]=CC(C[CH2+])=C3C=CC2=C1
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