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Hydrocaffeic acid ME2PFP            @
SpectraBase Compound ID 5RKVzkPjE1n
InChI InChI=1S/C16H10F10O6/c1-30-10(27)5-3-7-2-4-8(31-11(28)13(17,18)15(21,22)23)9(6-7)32-12(29)14(19,20)16(24,25)26/h2,4,6H,3,5H2,1H3
InChIKey POIWOMVBBDZOAP-UHFFFAOYSA-N
Mol Weight 488.23 g/mol
Molecular Formula C16H10F10O6
Exact Mass 488.03177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EuIrmKnvHj7
Name Hydrocaffeic acid ME2PFP @
Classification Biomolecule
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Exact Mass 488.031769666 u
Formula C16H10F10O6
InChI InChI=1S/C16H10F10O6/c1-30-10(27)5-3-7-2-4-8(31-11(28)13(17,18)15(21,22)23)9(6-7)32-12(29)14(19,20)16(24,25)26/h2,4,6H,3,5H2,1H3
InChIKey POIWOMVBBDZOAP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 488.234 g/mol
SMILES c1cc(c(cc1CCC(OC)=O)OC(=O)C(C(F)(F)F)(F)F)OC(=O)C(C(F)(F)F)(F)F
SPLASH splash10-00or-8641900000-03a7ca014f575f1dc042
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-) ME2PFP
Technique GC/MS
Wiley ID MMPW6e_5993