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Protriptyline MS3_1
SpectraBase Compound ID HPlz4VJrs6H
InChI InChI=1S/C18H17/c1-2-7-18-16-10-5-3-8-14(16)12-13-15-9-4-6-11-17(15)18/h3-6,8-13,18H,1-2,7H2/q+1
InChIKey WHPYNATZPONAFK-UHFFFAOYSA-N
Mol Weight 233.33 g/mol
Molecular Formula C18H17
Exact Mass 233.133026 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID ACbo1OBULHG
Name Protriptyline MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-245.00]
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InChI InChI=1S/C18H17/c1-2-7-18-16-10-5-3-8-14(16)12-13-15-9-4-6-11-17(15)18/h3-6,8-13,18H,1-2,7H2/q+1
InChIKey WHPYNATZPONAFK-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [CH2+]CCC1C2=C(C=CC=C2)C=CC=2C1=CC=CC2
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