MassBank Record: KO004233



 Trifluoperazine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO004233
RECORD_TITLE: Trifluoperazine; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 408 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-06r6-0900500000-0ea8c080e1d078157f50 PK$NUM_PEAK: 97 PK$PEAK: m/z int. rel.int. 57.300 138614.0 1 70.100 4960401.0 18 71.000 153465.5 1 72.400 29703.0 1 84.200 331683.5 1 86.200 539604.5 2 94.000 24752.5 1 96.100 3871291.0 14 96.800 217822.0 1 97.900 4480202.5 16 98.900 232673.5 1 100.200 183168.5 1 101.000 405941.0 1 106.000 49505.0 1 109.000 480198.5 2 110.300 54455.5 1 111.100 14886153.5 55 113.200 154237778.0 567 115.300 29703.0 1 117.100 59406.0 1 120.900 89109.0 1 122.200 64356.5 1 123.100 64356.5 1 124.100 891090.0 3 125.100 64356.5 1 126.500 34653.5 1 127.200 89109.0 1 128.700 79208.0 1 135.000 173267.5 1 135.900 99010.0 1 137.400 1202971.5 4 138.500 178218.0 1 139.300 8079216.0 30 140.300 49505.0 1 141.200 271554727.0 999 142.200 292079.5 1 149.300 1425744.0 5 152.200 84158.5 1 167.100 123762.5 1 170.900 39604.0 1 174.100 24752.5 1 185.100 727723.5 3 202.400 29703.0 1 204.200 34653.5 1 212.200 49505.0 1 213.600 24752.5 1 226.000 232673.5 1 230.100 514852.0 2 236.400 103960.5 1 239.200 301980.5 1 244.100 668317.5 2 247.600 39604.0 1 248.200 262376.5 1 249.400 59406.0 1 250.600 207921.0 1 252.400 54455.5 1 252.600 24752.5 1 260.000 69307.0 1 262.200 2678220.5 10 264.500 391089.5 1 265.500 118812.0 1 266.100 44554.5 1 267.400 113861.5 1 268.200 44554.5 1 270.400 103960.5 1 272.500 54455.5 1 275.200 544555.0 2 276.500 113861.5 1 278.400 44554.5 1 280.400 12594072.0 46 282.500 94059.5 1 283.400 455446.0 2 288.300 430693.5 2 290.200 356436.0 1 291.100 39604.0 1 292.200 14851.5 1 294.400 49505.0 1 299.600 19802.0 1 302.600 9901.0 1 305.600 143564.5 1 307.300 24752.5 1 308.500 8123770.5 30 317.600 54455.5 1 319.500 227723.0 1 320.400 163366.5 1 325.300 54455.5 1 331.600 103960.5 1 333.200 108911.0 1 340.600 29703.0 1 348.500 2306933.0 8 351.800 84158.5 1 366.600 29703.0 1 368.500 6544561.0 24 373.200 163366.5 1 388.500 1400991.5 5 406.300 29703.0 1 408.700 268336902.0 987 //

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