ACCESSION: MSBNK-Keio_Univ-KO002622
RECORD_TITLE: Cyprodinil; 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 C172

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$LINK: NIKKAJI J682.437D
CH$LINK: PUBCHEM SID:13097
CH$LINK: INCHIKEY HAORKNGNJCEJBX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1032359

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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 226
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-004i-0090000000-11fe6b653adee3f721e6
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  50.100 193069.5 1
  68.000 331683.5 1
  82.100 1024753.5 2
  90.100 24752.5 1
  100.400 64356.5 1
  104.900 242574.5 1
  106.200 143564.5 1
  108.000 84158.5 1
  108.300 44554.5 1
  115.400 44554.5 1
  118.100 24752.5 1
  119.000 64356.5 1
  120.200 59406.0 1
  136.000 64356.5 1
  137.200 59406.0 1
  139.100 29703.0 1
  149.900 39604.0 1
  151.700 54455.5 1
  152.200 54455.5 1
  153.300 29703.0 1
  153.900 153465.5 1
  162.200 44554.5 1
  163.100 44554.5 1
  165.000 39604.0 1
  166.200 376238.0 1
  168.300 24752.5 1
  169.600 24752.5 1
  172.300 34653.5 1
  176.400 79208.0 1
  182.000 9901.0 1
  185.300 49505.0 1
  190.000 54455.5 1
  191.400 1589110.5 3
  194.300 480198.5 1
  206.300 24752.5 1
  208.000 118812.0 1
  209.100 6950502.0 14
  212.200 59406.0 1
  226.200 502955948.5 999
//