MassBank Record: KO001964



 Triadimefon; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001964
RECORD_TITLE: Triadimefon; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 292 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-9010000000-92e2e56d1e58fbacb8d7 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 59.300 59406.0 1 66.900 34653.5 1 67.500 3866340.5 35 68.000 109673377.0 999 87.300 39604.0 1 88.800 29703.0 1 92.800 14851.5 1 95.000 9901.0 1 96.800 19802.0 1 111.300 693070.0 6 119.400 9901.0 1 126.700 1618813.5 15 130.800 1990101.0 18 152.200 2668319.5 24 164.000 133663.5 1 166.800 29703.0 1 178.200 381188.5 3 180.300 94059.5 1 181.200 1500001.5 14 187.500 44554.5 1 188.500 128713.0 1 190.000 34653.5 1 211.000 54455.5 1 223.000 64356.5 1 234.100 222772.5 2 235.000 12257438.0 112 247.200 178218.0 2 248.200 14851.5 1 256.100 19802.0 1 258.200 24752.5 1 265.100 79208.0 1 292.200 6613868.0 60 //