ACCESSION: MSBNK-Keio_Univ-KO002620
RECORD_TITLE: Carbendazim; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-03di-1900000000-d6a2d8c38ca15c4d2b9b
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  43.000 64356.5 4
  55.100 74257.5 5
  57.100 74257.5 5
  59.300 89109.0 6
  60.700 9901.0 1
  65.200 212871.5 14
  69.200 29703.0 2
  70.100 9901.0 1
  72.800 54455.5 4
  79.200 54455.5 4
  80.300 49505.0 3
  82.900 34653.5 2
  90.300 559406.5 37
  91.000 99010.0 6
  92.100 1856437.5 122
  93.100 39604.0 3
  103.200 34653.5 2
  104.400 39604.0 3
  105.200 2485151.0 163
  106.200 217822.0 14
  107.000 113861.5 7
  108.300 64356.5 4
  117.300 1648516.5 108
  118.200 99010.0 6
  119.300 158416.0 10
  131.800 6064362.5 398
  133.200 579208.5 38
  134.200 29703.0 2
  135.200 193069.5 13
  142.300 198020.0 13
  157.200 34653.5 2
  159.300 163366.5 11
  160.100 15237639.0 999
//