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ASCORBIC_ACID;AA
SpectraBase Compound ID 1qDuFppmh5E
InChI InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2
InChIKey CIWBSHSKHKDKBQ-UHFFFAOYSA-N
Mol Weight 176.12 g/mol
Molecular Formula C6H8O6
Exact Mass 176.032088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BF66M3dTg1x
Name Ascorbic acid
CAS Registry Number 50-81-7
Classification Vitamin
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Exact Mass 176.032087972 u
Formula C6H8O6
InChI InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2
InChIKey CIWBSHSKHKDKBQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 176.124 g/mol
SMILES C1(C(=C(C(O1)C(CO)O)O)O)=O
SPLASH splash10-014i-9800000000-2180723c36a644908180
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.
Sample Preparation Procedure Detected: U
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_64