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Chavicine-M (deethyl-COOH) MS3_1
SpectraBase Compound ID RU6bnzEVkx
InChI InChI=1S/C12H9O3/c13-7-3-1-2-4-10-5-6-11-12(8-10)15-9-14-11/h1-6,8H,9H2/q+1/b3-1+,4-2-
InChIKey FBIVYYHIDHGRDT-TZFCGSKZSA-N
Mol Weight 201.2 g/mol
Molecular Formula C12H9O3
Exact Mass 201.055169 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Jb2u1CroMaA
Name Chavicine MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-215.00]
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InChI InChI=1S/C12H9O3/c13-7-3-1-2-4-10-5-6-11-12(8-10)15-9-14-11/h1-6,8H,9H2/q+1/b3-1+,4-2-
InChIKey FBIVYYHIDHGRDT-TZFCGSKZSA-N
Ion Polarity P
Ionization Type ESI
SMILES [C+](\C=C\C=C/C=1C=C2C(=CC1)OCO2)=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