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Hydrocaffeic acid ME              @
SpectraBase Compound ID 3lDmu8Vm4VI
InChI InChI=1S/C10H12O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2,4,6,11-12H,3,5H2,1H3
InChIKey NTULQOXXTCSEHM-UHFFFAOYSA-N
Mol Weight 196.2 g/mol
Molecular Formula C10H12O4
Exact Mass 196.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NFZCppZs8
Name Hydrocaffeic acid ME @
Classification Biomolecule
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Exact Mass 196.073558862 u
Formula C10H12O4
InChI InChI=1S/C10H12O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2,4,6,11-12H,3,5H2,1H3
InChIKey NTULQOXXTCSEHM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 196.202 g/mol
SMILES c1(c(ccc(c1)CCC(=O)OC)O)O
SPLASH splash10-00di-5900000000-0855e3c6fa603325d597
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Caffeic acid artifact (dihydro-) ME
Technique GC/MS
Wiley ID MMPW6e_5764