MassBank Record: KO001966



 Triadimefon; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001966
RECORD_TITLE: Triadimefon; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 292 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-9000000000-c3d25499a5cea0ff22e1 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 35.000 89109.0 1 41.800 44554.5 1 42.200 69307.0 1 58.100 34653.5 1 58.400 54455.5 1 66.200 158416.0 1 67.500 4237628.0 25 68.000 166490265.5 999 74.100 222772.5 1 80.000 34653.5 1 82.900 9901.0 1 87.400 193069.5 1 94.700 79208.0 1 95.100 504951.0 3 96.100 44554.5 1 101.000 183168.5 1 110.900 1460397.5 9 124.300 69307.0 1 126.100 89109.0 1 127.000 11663378.0 70 131.200 336634.0 2 134.300 59406.0 1 144.700 14851.5 1 145.900 44554.5 1 152.100 4599014.5 28 153.300 153465.5 1 163.800 14851.5 1 178.300 292079.5 2 210.500 29703.0 1 211.400 514852.0 3 247.500 69307.0 1 //