ACCESSION: MSBNK-Keio_Univ-KO008909
RECORD_TITLE: Cyprodinil; LC-ESI-IT; MS3; m/z: 226/185; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID C172
COMMENT: [MS2] KO008908

CH$NAME: Cyprodinil
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₅N₃
CH$EXACT_MASS: 225.12660
CH$SMILES: Cc(n2)cc(nc2Nc(c3)cccc3)C(C1)C1
CH$IUPAC: InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)
CH$LINK: CAS 121552-61-2
CH$LINK: KEGG C10914
CH$LINK: PUBCHEM 13097
CH$LINK: INCHIKEY HAORKNGNJCEJBX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1032359

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.80/0.55

MS$FOCUSED_ION: PRECURSOR_M/Z 226/185
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-000i-0900000000-fbf5799963bbe4c8c3f3
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  80.2 2.77 52
  119.1 1.69 32
  143.0 6.54 123
  144.1 2.05 39
  157.0 3.92 74
  158.0 14.01 264
  168.1 1.00 19
  169.0 5.00 94
  183.1 9.39 177
  185.1 53.01 999
//