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Olanzapine-M (2-HO-) MS3_1
SpectraBase Compound ID IgGD5Ncf6vm
InChI InChI=1S/C14H14N3OS/c1-2-15-14-13-12(7-9(8-18)19-13)16-10-5-3-4-6-11(10)17-14/h3-7,16,18H,1-2,8H2,(H,15,17)/q+1
InChIKey MQNHYYRCUDNBGE-UHFFFAOYSA-N
Mol Weight 272.35 g/mol
Molecular Formula C14H14N3OS
Exact Mass 272.085758 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 4rQfyJQ0Dsc
Name Olanzapine-M (2-HO-) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-285.00]
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InChI InChI=1S/C14H14N3OS/c1-2-15-14-13-12(7-9(8-18)19-13)16-10-5-3-4-6-11(10)17-14/h3-7,16,18H,1-2,8H2,(H,15,17)/q+1
InChIKey MQNHYYRCUDNBGE-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(C=1C=2SC(CO)=CC2NC=2C=CC=CC2N1)C[CH2+]
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 ms3
Technique ITMS