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Etryptamine artifact (deamino-) MS2
SpectraBase Compound ID L34pEJv4xXv
InChI InChI=1S/C12H14N/c1-2-3-6-10-9-13-12-8-5-4-7-11(10)12/h3-5,7-9,13H,2,6H2,1H3/q+1
InChIKey PSIMGHARXTYGHX-UHFFFAOYSA-N
Mol Weight 172.25 g/mol
Molecular Formula C12H14N
Exact Mass 172.112624 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID LtyZGYSCfGo
Name Etryptamine artifact (deamino-) MS2
Comments F: ITMS + c ESI d w Full ms2 172.10
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InChI InChI=1S/C12H14N/c1-2-3-6-10-9-13-12-8-5-4-7-11(10)12/h3-5,7-9,13H,2,6H2,1H3/q+1
InChIKey PSIMGHARXTYGHX-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N1C2=C(C(=C1)C[CH+]CC)C=CC=C2
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 ms2
Technique ITMS