MassBank Record: MSBNK-Keio_Univ-KO001963
ACCESSION: MSBNK-Keio_Univ-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
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 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
//