MassBank Record: KO004232



 Trifluoperazine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO004232
RECORD_TITLE: Trifluoperazine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID T122

CH$NAME: Trifluoperazine CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H24F3N3S CH$EXACT_MASS: 407.16430 CH$SMILES: CN(C4)CCN(C4)CCCN(c21)c(c3)c(ccc(C(F)(F)F)3)Sc(cccc2)1 CH$IUPAC: 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 CH$LINK: CAS 117-89-5 CH$LINK: KEGG C07168 CH$LINK: NIKKAJI J5.293K CH$LINK: PUBCHEM SID:9377 CH$LINK: INCHIKEY ZEWQUBUPAILYHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1046928
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 408 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-0000900000-7b23271ee0eec105a7c5 PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 70.100 158416.0 1 96.100 108911.0 1 98.000 103960.5 1 111.200 643565.0 1 113.100 8059414.0 8 120.700 19802.0 1 124.100 34653.5 1 137.200 74257.5 1 139.100 623763.0 1 141.200 31519833.5 32 142.300 29703.0 1 149.200 965347.5 1 152.200 89109.0 1 159.900 54455.5 1 167.300 450495.5 1 177.300 19802.0 1 185.200 217822.0 1 203.500 257426.0 1 219.800 74257.5 1 238.900 19802.0 1 244.200 54455.5 1 248.300 74257.5 1 257.600 19802.0 1 262.300 212871.5 1 264.200 49505.0 1 275.300 24752.5 1 275.700 24752.5 1 279.600 158416.0 1 280.300 797030.5 1 283.300 1376239.0 1 288.200 79208.0 1 308.500 1103961.5 1 319.700 39604.0 1 331.000 39604.0 1 346.000 14851.5 1 348.200 435644.0 1 353.700 19802.0 1 359.300 89109.0 1 368.500 2113863.5 2 388.600 1450496.5 1 390.400 34653.5 1 391.300 89109.0 1 408.700 995669312.5 999 //

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