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Pipamperone-M (dehydro-HO-) MS2
SpectraBase Compound ID 8utPd7GrZjK
InChI InChI=1S/C21H28FN3O3/c22-17-5-3-16(4-6-17)19(27)2-1-11-24-14-9-21(10-15-24,20(23)28)25-12-7-18(26)8-13-25/h3-6,9,14,18,26H,1-2,7-8,10-13,15H2,(H2,23,28)
InChIKey NHNOIXRJTMSTEO-UHFFFAOYSA-N
Mol Weight 389.47 g/mol
Molecular Formula C21H28FN3O3
Exact Mass 389.21147 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 4WiXIDTx4kw
Name Pipamperone-M (dehydro-HO-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-415.00]
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Formula C21H28FN3O3
InChI InChI=1S/C21H28FN3O3/c22-17-5-3-16(4-6-17)19(27)2-1-11-24-14-9-21(10-15-24,20(23)28)25-12-7-18(26)8-13-25/h3-6,9,14,18,26H,1-2,7-8,10-13,15H2,(H2,23,28)
InChIKey NHNOIXRJTMSTEO-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES OC1CCN(C2(C(N)=O)CCN(CCCC(C=3C=CC(=CC3)F)=O)C=C2)CC1
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD