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Dimetacrine-M (HO-) MS3_1
SpectraBase Compound ID UF1WtOm9f4
InChI InChI=1S/C18H19NO/c1-4-11-19-16-8-6-5-7-14(16)18(2,3)15-10-9-13(20)12-17(15)19/h5-10,12H,1,4,11H2,2-3H3/p+1
InChIKey YIITUHHFUUWZQU-UHFFFAOYSA-O
Mol Weight 266.36 g/mol
Molecular Formula C18H20NO
Exact Mass 266.154489 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8734zehwaCq
Name Dimetacrine-M (HO-glucuronide) MS3_2
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-280.00]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
InChI InChI=1S/C18H19NO/c1-4-11-19-16-8-6-5-7-14(16)18(2,3)15-10-9-13(20)12-17(15)19/h5-10,12H,1,4,11H2,2-3H3/p+1
InChIKey YIITUHHFUUWZQU-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC1=CC=2N(CC[CH2+])C3=CC=CC=C3C(C2C=C1)(C)C
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