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Granisetron-M (nor-) MS2
SpectraBase Compound ID 1MWudrqLrLT
InChI InChI=1S/C17H22N4O/c1-21-15-8-3-2-7-14(15)16(20-21)17(22)19-13-9-11-5-4-6-12(10-13)18-11/h2-3,7-8,11-13,18H,4-6,9-10H2,1H3,(H,19,22)/t11-,12+,13+
InChIKey VIGVTDRZHFWDBM-UHFFFAOYSA-N
Mol Weight 298.39 g/mol
Molecular Formula C17H22N4O
Exact Mass 298.179361 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5CvXbcDl7yI
Name Granisetron-M (nor-) MS2
Comments F: ITMS + c ESI d w Full ms2 299.10
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Formula C17H22N4O
InChI InChI=1S/C17H22N4O/c1-21-15-8-3-2-7-14(15)16(20-21)17(22)19-13-9-11-5-4-6-12(10-13)18-11/h2-3,7-8,11-13,18H,4-6,9-10H2,1H3,(H,19,22)/t11-,12+,13+
InChIKey VIGVTDRZHFWDBM-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(C(C=1C2=C(N(C)N1)C=CC=C2)=O)[C@]1(C[C@@]2(CCC[C@](C1)(N2)[H])[H])[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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS