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Trimazosin MS3_1
SpectraBase Compound ID HYzC7AXWHjv
InChI InChI=1S/C16H20N5O4/c1-23-11-8-10-12(14(25-3)13(11)24-2)18-16(19-15(10)17)21-6-4-20(9-22)5-7-21/h8H,4-7H2,1-3H3,(H2,17,18,19)/q+1
InChIKey USDCUZKIONTCLD-UHFFFAOYSA-N
Mol Weight 346.37 g/mol
Molecular Formula C16H20N5O4
Exact Mass 346.151529 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9ek6GhrRGi
Name Trimazosin MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [85.00-360.00]
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InChI InChI=1S/C16H20N5O4/c1-23-11-8-10-12(14(25-3)13(11)24-2)18-16(19-15(10)17)21-6-4-20(9-22)5-7-21/h8H,4-7H2,1-3H3,(H2,17,18,19)/q+1
InChIKey USDCUZKIONTCLD-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES NC1=NC(N2CCN([C+]=O)CC2)=NC=2C1=CC(=C(C2OC)OC)OC
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