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Pipamperone-M (dehydro-) MS2
SpectraBase Compound ID BU8L6EjIuwR
InChI InChI=1S/C21H28FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-10,15H,1-5,11-14,16H2,(H2,23,27)
InChIKey SKYTVDPAJJUQNA-UHFFFAOYSA-N
Mol Weight 373.47 g/mol
Molecular Formula C21H28FN3O2
Exact Mass 373.216555 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 10mU5XDUOdc
Name Pipamperone-M (dehydro-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-400.00]
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Formula C21H28FN3O2
InChI InChI=1S/C21H28FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-10,15H,1-5,11-14,16H2,(H2,23,27)
InChIKey SKYTVDPAJJUQNA-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES NC(C1(CCN(CCCC(C=2C=CC(F)=CC2)=O)C=C1)N1CCCCC1)=O
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