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Ferulic acid glycine conjugate artifact (+ME) MS3_1
SpectraBase Compound ID JPNyJPyqIsl
InChI InChI=1S/C10H8O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7H,1H3/p+1
InChIKey MEJAWMRHUBBXBE-UHFFFAOYSA-O
Mol Weight 177.18 g/mol
Molecular Formula C10H9O3
Exact Mass 177.055169 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID LckR9gqtG21
Name Ferulic acid glycine conjugate artifact (+ME) MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-190.00]
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InChI InChI=1S/C10H8O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7H,1H3/p+1
InChIKey MEJAWMRHUBBXBE-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC=1C(=CC(\C=C\[C+]=O)=CC1)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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS