MassBank Record: KO004231



 Trifluoperazine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO004231
RECORD_TITLE: Trifluoperazine; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 408 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-0000900000-a01e8dfa304983005945 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 113.100 321782.5 1 141.500 797030.5 1 149.000 39604.0 1 152.300 69307.0 1 160.400 34653.5 1 192.000 34653.5 1 203.500 89109.0 1 206.100 59406.0 1 220.000 391089.5 1 239.100 14851.5 1 244.600 34653.5 1 250.100 14851.5 1 261.600 108911.0 1 279.300 49505.0 1 280.400 89109.0 1 283.200 1400991.5 1 289.100 9901.0 1 304.200 34653.5 1 308.000 69307.0 1 332.300 19802.0 1 346.200 79208.0 1 347.900 19802.0 1 359.300 108911.0 1 368.500 153465.5 1 371.800 34653.5 1 375.800 14851.5 1 388.500 148515.0 1 391.600 2356438.0 2 408.700 1455278683.0 999 //

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