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Maprotiline-M (nor-di-HO-) MS3_1
SpectraBase Compound ID H6ZYeaU6RSc
InChI InChI=1S/C17H17NO2/c18-7-3-6-14-13-5-2-1-4-11(13)8-12-9-16(19)17(20)10-15(12)14/h1-2,4-5,8-11H,3,6-7,18H2,(H-,19,20)/p+1
InChIKey SBFXXWCFKRAQJZ-UHFFFAOYSA-O
Mol Weight 268.34 g/mol
Molecular Formula C17H18NO2
Exact Mass 268.133754 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Fhv6fdJdqjE
Name Maprotiline-M (nor-di-HO-glucuronide) MS3_2
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-280.00]
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InChI InChI=1S/C17H17NO2/c18-7-3-6-14-13-5-2-1-4-11(13)8-12-9-16(19)17(20)10-15(12)14/h1-2,4-5,8-11H,3,6-7,18H2,(H-,19,20)/p+1
InChIKey SBFXXWCFKRAQJZ-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC=1C=C2C(=C3C([CH+]C2=CC1O)C=CC=C3)CCCN
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