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Granisetron MS3_1
SpectraBase Compound ID C07NvcG9rBS
InChI InChI=1S/C9H16N/c1-10-8-4-2-5-9(10)7-3-6-8/h2,8-9H,3-7H2,1H3/q+1/t8-,9+
InChIKey YQWNKDSAWUSQQT-UHFFFAOYSA-N
Mol Weight 138.23 g/mol
Molecular Formula C9H16N
Exact Mass 138.128275 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID D6ctS9kaX1B
Name Granisetron MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-150.00]
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InChI InChI=1S/C9H16N/c1-10-8-4-2-5-9(10)7-3-6-8/h2,8-9H,3-7H2,1H3/q+1/t8-,9+
InChIKey YQWNKDSAWUSQQT-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [CH+]1C[C@]2(N([C@@](C1)(CCC2)[H])C)[H]
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