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(2E)-[3-(4-HYDROXY-3-METHOXYPHENYL)-ACRYLOYLAMINO]-ACETIC-ACID
SpectraBase Compound ID 6YD1o20ZDaW
InChI InChI=1S/C12H13NO5/c1-18-10-6-8(2-4-9(10)14)3-5-11(15)13-7-12(16)17/h2-6,14H,7H2,1H3,(H,13,15)(H,16,17)/b5-3+
InChIKey CLGNQAIRBLDHIN-HWKANZROSA-N
Mol Weight 251.24 g/mol
Molecular Formula C12H13NO5
Exact Mass 251.079373 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID GUBGFqw7pjY
Name Ferulic acid glycine conjugate MS2
Comments F: ITMS + c ESI d w Full ms2 252.10
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Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-18-10-6-8(2-4-9(10)14)3-5-11(15)13-7-12(16)17/h2-6,14H,7H2,1H3,(H,13,15)(H,16,17)/b5-3+
InChIKey CLGNQAIRBLDHIN-HWKANZROSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC(CNC(\C=C\C1=CC=C(C(=C1)OC)O)=O)=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 ms2
Technique ITMS