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Trifluoperazine
SpectraBase Compound ID GkSnHLLtq1P
InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
InChIKey ZEWQUBUPAILYHI-UHFFFAOYSA-N
Mol Weight 407.5 g/mol
Molecular Formula C21H24F3N3S
Exact Mass 407.164303 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 6ATaGZoZt2
Name Trifluoperazine MS2
CAS Registry Number 117-89-5
Comments F: ITMS + c ESI d w Full ms2 408.10
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Formula C21H24F3N3S
InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
InChIKey ZEWQUBUPAILYHI-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C(CCN1C2=CC(=CC=C2SC2=C1C=CC=C2)C(F)(F)F)N1CCN(CC1)C
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