MassBank Record: KO001963



 Triadimefon; 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: KO001963
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
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 292 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-0090000000-fb16ae3078b2e35df330 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 68.000 4282182.5 11 127.200 39604.0 1 130.800 1886140.5 5 152.100 128713.0 1 178.300 29703.0 1 186.700 39604.0 1 187.900 148515.0 1 233.900 247525.0 1 235.000 18133681.5 48 245.000 54455.5 1 247.500 39604.0 1 256.000 29703.0 1 264.100 29703.0 1 292.300 375010276.0 999 //