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Sulfadiazine MS2
SpectraBase Compound ID 5TrEyMINsI2
InChI InChI=1S/C10H10N4O2S/c11-8-3-1-4-9(7-8)17(15,16)14-10-12-5-2-6-13-10/h1-7H,11H2,(H,12,13,14)
InChIKey ODWQKLIHSSJGEU-UHFFFAOYSA-N
Mol Weight 250.28 g/mol
Molecular Formula C10H10N4O2S
Exact Mass 250.052447 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 6ovhtkTy45p
Name Sulfadiazine
CAS Registry Number 68-35-9
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-275.00]
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Formula C10H10N4O2S
InChI InChI=1S/C10H10N4O2S/c11-8-3-1-4-9(7-8)17(15,16)14-10-12-5-2-6-13-10/h1-7H,11H2,(H,12,13,14)
InChIKey ODWQKLIHSSJGEU-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES NC1=CC(S(NC2=NC=CC=N2)(=O)=O)=CC=C1
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD