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Ascorbic acid isomer-2 3ME
SpectraBase Compound ID EkZCFM25op7
InChI InChI=1S/C9H14O6/c1-12-7-6(5(11)4-10)15-9(14-3)8(7)13-2/h5,10-11H,4H2,1-3H3
InChIKey ZUNVUEQCIJDAFM-UHFFFAOYSA-N
Mol Weight 218.2 g/mol
Molecular Formula C9H14O6
Exact Mass 218.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 791lApnVTDU
Name Ascorbic acid isomer-2 3ME
Classification Vitamin
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Exact Mass 218.079038165 u
Formula C9H14O6
InChI InChI=1S/C9H14O6/c1-12-7-6(5(11)4-10)15-9(14-3)8(7)13-2/h5,10-11H,4H2,1-3H3
InChIKey ZUNVUEQCIJDAFM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 218.205 g/mol
SMILES COc1oc(c(OC)c1OC)C(O)CO
SPLASH splash10-0a59-2900000000-047026a6baa6110e7dfa
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
Technique GC/MS
Wiley ID MMPW6e_2636