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Cefazoline MS3_1
SpectraBase Compound ID FEs2bItGlH
InChI InChI=1S/C11H10N6O4S/c1-5-3-22-10-7(9(19)17(10)8(5)11(20)21)13-6(18)2-16-4-12-14-15-16/h4,7,10H,1-3H2,(H-,13,18,20,21)/p+1
InChIKey QOMGVWKRFOIILR-UHFFFAOYSA-O
Mol Weight 323.31 g/mol
Molecular Formula C11H11N6O4S
Exact Mass 323.056249 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5q6ySbYGvo
Name Cefazoline MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-335.00]
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InChI InChI=1S/C11H10N6O4S/c1-5-3-22-10-7(9(19)17(10)8(5)11(20)21)13-6(18)2-16-4-12-14-15-16/h4,7,10H,1-3H2,(H-,13,18,20,21)/p+1
InChIKey QOMGVWKRFOIILR-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC(C1=C(CSC2C(C(N12)=O)NC(CN1N=NN=C1)=O)[CH2+])=O
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS