ACCESSION: MSBNK-Keio_Univ-KO004226
RECORD_TITLE: Triadimefon; 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 T112

CH$NAME: Triadimefon
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₆ClN₃O₂
CH$EXACT_MASS: 293.09310
CH$SMILES: Clc(c2)ccc(c2)OC(n(c1)ncn1)C(=O)C(C)(C)C
CH$IUPAC: InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3
CH$LINK: CAS 43121-43-3
CH$LINK: KEGG C11156
CH$LINK: NIKKAJI J1.896A
CH$LINK: PUBCHEM SID:13338
CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3023897

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$FOCUSED_ION: PRECURSOR_M/Z 294
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-0090000000-889addd3780382e28658
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  69.100 54455.5 1
  82.100 39604.0 1
  96.400 34653.5 1
  100.600 24752.5 1
  105.300 44554.5 1
  108.300 14851.5 1
  115.300 3445548.0 6
  128.700 148515.0 1
  133.100 5826738.5 10
  141.100 232673.5 1
  151.000 34653.5 1
  155.400 133663.5 1
  162.100 282178.5 1
  167.200 118812.0 1
  171.200 54455.5 1
  197.100 7985156.5 13
  203.300 163366.5 1
  204.300 39604.0 1
  206.500 9901.0 1
  217.200 143564.5 1
  221.100 490099.5 1
  222.300 217822.0 1
  225.200 8900999.0 15
  231.400 900991.0 2
  232.700 49505.0 1
  234.400 108911.0 1
  238.700 59406.0 1
  239.200 94059.5 1
  241.600 257426.0 1
  260.300 272277.5 1
  262.500 49505.0 1
  277.600 935644.5 2
  294.400 596688715.5 999
  312.300 316832.0 1
  451.700 9901.0 1
  510.900 24752.5 1
//