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Lincomycin (4)AC
SpectraBase Compound ID FfMBOkw98uX
InChI InChI=1S/C26H42N2O10S/c1-9-10-18-11-19(28(7)12-18)25(33)27-20(13(2)34-14(3)29)21-22(35-15(4)30)23(36-16(5)31)24(37-17(6)32)26(38-21)39-8/h13,18-24,26H,9-12H2,1-8H3,(H,27,33)
InChIKey MXZCSMYMLAQTLD-UHFFFAOYSA-N
Mol Weight 574.7 g/mol
Molecular Formula C26H42N2O10S
Exact Mass 574.256017 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GoQCOhg1g9s
Name Lincomycin (4)AC
Classification Antibiotic
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Exact Mass 574.256016724 u
Formula C26H42N2O10S
InChI InChI=1S/C26H42N2O10S/c1-9-10-18-11-19(28(7)12-18)25(33)27-20(13(2)34-14(3)29)21-22(35-15(4)30)23(36-16(5)31)24(37-17(6)32)26(38-21)39-8/h13,18-24,26H,9-12H2,1-8H3,(H,27,33)
InChIKey MXZCSMYMLAQTLD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 574.686 g/mol
Related CAS Registry Number(s) 154-21-2
SMILES C1(C(C(OC(=O)C)C(C(O1)SC)OC(=O)C)OC(=O)C)C(NC(C1N(CC(C1)CCC)C)=O)C(OC(=O)C)C
SPLASH splash10-004i-0900000000-c12c83e82458b3b2726f
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_5127