MassBank Record: KO004222

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Propiconazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO004222
RECORD_TITLE: Propiconazole; 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 T108

CH$NAME: Tilt (TM)
CH$NAME: Propiconazole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H17Cl2N3O2
CH$EXACT_MASS: 341.06978
CH$SMILES: CCCC(C3)OC(O3)(Cn(c2)ncn2)c(c1)c(Cl)cc(Cl)c1
CH$IUPAC: InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3
CH$LINK: CAS 60207-90-1
CH$LINK: COMPTOX DTXSID8024280
CH$LINK: INCHIKEY STJLVHWMYQXCPB-UHFFFAOYSA-N
CH$LINK: KEGG C11121
CH$LINK: NIKKAJI J18.426H
CH$LINK: PUBCHEM SID:13303

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 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 342
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-0109000000-fc1afd944f9a38f0b94b
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  69.0 297030.0 10.0
  87.3 54455.5 2.0
  102.6 14851.5 1.0
  104.9 128713.0 4.0
  112.1 24752.5 1.0
  118.4 79208.0 3.0
  127.3 74257.5 2.0
  140.0 99010.0 3.0
  145.1 54455.5 2.0
  149.1 29703.0 1.0
  155.0 19802.0 1.0
  159.1 1717820.0 57.0
  163.2 618812.0 21.0
  173.0 34653.5 1.0
  180.2 539604.0 18.0
  187.0 148515.0 5.0
  190.3 89109.0 3.0
  205.1 1306930.0 44.0
  215.1 74257.5 2.0
  221.1 64356.5 2.0
  223.4 19802.0 1.0
  225.2 133664.0 4.0
  234.9 24752.5 1.0
  246.6 14851.5 1.0
  249.5 9901.0 1.0
  259.1 49505.0 2.0
  265.9 24752.5 1.0
  273.4 391090.0 13.0
  283.5 64356.5 2.0
  325.4 19802.0 1.0
  342.4 2.99159E7 999.0
//