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mCPP-M isomer-1 2AC           @
SpectraBase Compound ID WVqMVGljMX
InChI InChI=1S/C10H10ClNO3/c1-6(13)12-8-3-4-10(9(11)5-8)15-7(2)14/h3-5H,1-2H3,(H,12,13)
InChIKey YSDRYZQCCPSKLU-UHFFFAOYSA-N
Mol Weight 227.65 g/mol
Molecular Formula C10H10ClNO3
Exact Mass 227.034921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QwpgXmEa0
Name Paracetamol Cl-artifact AC @
Classification Analgesic
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 227.034920883 u
Formula C10H10ClNO3
InChI InChI=1S/C10H10ClNO3/c1-6(13)12-8-3-4-10(9(11)5-8)15-7(2)14/h3-5H,1-2H3,(H,12,13)
InChIKey YSDRYZQCCPSKLU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 227.647 g/mol
SMILES c1c(c(Cl)cc(NC(=O)C)c1)OC(=O)C
SPLASH splash10-000f-1900000000-b76bc264f518a7f4257e
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: UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Acetaminophen Cl-artifact AC Phenacetin-M (deethyl-) Cl-artifact AC
Technique GC/MS
Wiley ID MMPW6e_2993