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pMPP MS3_1
SpectraBase Compound ID EEsJjC2CkSf
InChI InChI=1S/C9H12NO/c1-3-10-8-4-6-9(11-2)7-5-8/h4-7,10H,1,3H2,2H3/q+1
InChIKey KIAIGYRBDVZAJK-UHFFFAOYSA-N
Mol Weight 150.2 g/mol
Molecular Formula C9H12NO
Exact Mass 150.091889 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 64eiI9nw6E4
Name MeOPP artifact (+ME) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-165.00]
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InChI InChI=1S/C9H12NO/c1-3-10-8-4-6-9(11-2)7-5-8/h4-7,10H,1,3H2,2H3/q+1
InChIKey KIAIGYRBDVZAJK-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(C[CH2+])C1=CC=C(C=C1)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