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Doripenem artifact-2
SpectraBase Compound ID 8WuDxovlKdw
InChI InChI=1S/C10H15NO2S/c1-5-7(14-3)4-11-9(5)8(6(2)12)10(11)13/h4-6,8-9,12H,1-3H3
InChIKey BMXWWYDUTVXFAO-UHFFFAOYSA-N
Mol Weight 213.29 g/mol
Molecular Formula C10H15NO2S
Exact Mass 213.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASAzrajqJ4n
Name Doripenem artifact-2
Classification Antibiotic
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Exact Mass 213.082349899 u
Formula C10H15NO2S
InChI InChI=1S/C10H15NO2S/c1-5-7(14-3)4-11-9(5)8(6(2)12)10(11)13/h4-6,8-9,12H,1-3H3
InChIKey BMXWWYDUTVXFAO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 213.295 g/mol
SMILES C1(C(=O)N2C1C(C(=C2)SC)C)C(C)O
SPLASH splash10-02aj-5910000000-d9164a2670656b383261
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_9462