ACCESSION: MSBNK-Keio_Univ-KO002617
RECORD_TITLE: Carbendazim; 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 C170

CH$NAME: Carbendazim
CH$NAME: Mecarzole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₉N₃O₂
CH$EXACT_MASS: 191.06948
CH$SMILES: COC(=O)NC1=NC2=CC=CC=C2N1
CH$IUPAC: InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)
CH$LINK: CAS 10605-21-7
CH$LINK: KEGG C10897
CH$LINK: NIKKAJI J3.120H
CH$LINK: PUBCHEM SID:13080
CH$LINK: INCHIKEY TWFZGCMQGLPBSX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4024729

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$FOCUSED_ION: PRECURSOR_M/Z 192
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-0900000000-082f61a661f5a52de8cf
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  50.300 29703.0 1
  62.000 29703.0 1
  69.300 29703.0 1
  71.000 94059.5 1
  77.900 361386.5 3
  83.300 54455.5 1
  91.900 198020.0 2
  96.800 29703.0 1
  98.900 480198.5 4
  100.800 257426.0 2
  101.900 34653.5 1
  105.300 44554.5 1
  106.300 19802.0 1
  110.000 44554.5 1
  111.200 44554.5 1
  113.200 133663.5 1
  113.800 44554.5 1
  115.200 99010.0 1
  117.200 351485.5 3
  119.100 103960.5 1
  120.400 49505.0 1
  124.000 24752.5 1
  129.000 44554.5 1
  131.800 113861.5 1
  133.400 14851.5 1
  139.200 331683.5 3
  143.200 514852.0 4
  155.700 34653.5 1
  157.100 425743.0 4
  159.900 3871291.0 33
  174.300 108911.0 1
  175.300 5376243.0 45
  178.000 24752.5 1
  192.300 118292197.5 999
//