MassBank Record: KO004231

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Trifluoperazine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO004231
RECORD_TITLE: Trifluoperazine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, 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: 407.1643
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: COMPTOX DTXSID1046928
CH$LINK: INCHIKEY ZEWQUBUPAILYHI-UHFFFAOYSA-N
CH$LINK: KEGG C07168
CH$LINK: NIKKAJI J5.293K
CH$LINK: PUBCHEM SID:9377

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.
  113.1 321782.0 1.0
  141.5 797030.0 1.0
  149.0 39604.0 1.0
  152.3 69307.0 1.0
  160.4 34653.5 1.0
  192.0 34653.5 1.0
  203.5 89109.0 1.0
  206.1 59406.0 1.0
  220.0 391090.0 1.0
  239.1 14851.5 1.0
  244.6 34653.5 1.0
  250.1 14851.5 1.0
  261.6 108911.0 1.0
  279.3 49505.0 1.0
  280.4 89109.0 1.0
  283.2 1400990.0 1.0
  289.1 9901.0 1.0
  304.2 34653.5 1.0
  308.0 69307.0 1.0
  332.3 19802.0 1.0
  346.2 79208.0 1.0
  347.9 19802.0 1.0
  359.3 108911.0 1.0
  368.5 153466.0 1.0
  371.8 34653.5 1.0
  375.8 14851.5 1.0
  388.5 148515.0 1.0
  391.6 2356440.0 2.0
  408.7 1.45528E9 999.0
//