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Salbutamol MS3_1
SpectraBase Compound ID GFPZb2Tm4Fb
InChI InChI=1S/C9H11NO2/c10-4-3-7-1-2-9(12)8(5-7)6-11/h1-3,5,11H,4,6,10H2/p+1
InChIKey KGNHVGCFJUHKRE-UHFFFAOYSA-O
Mol Weight 166.2 g/mol
Molecular Formula C9H12NO2
Exact Mass 166.086804 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID HskHJary8FB
Name Salbutamol MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-180.00]
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InChI InChI=1S/C9H11NO2/c10-4-3-7-1-2-9(12)8(5-7)6-11/h1-3,5,11H,4,6,10H2/p+1
InChIKey KGNHVGCFJUHKRE-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES NC[CH+]C1=CC(CO)=C(C=C1)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