MassBank Record: KO002619



 Carbendazim; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002619
RECORD_TITLE: Carbendazim; LC-ESI-QQ; MS2; CE:30 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$LINK: PUBCHEM SID:13080
AC$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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 192 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0900000000-11745a93c352387eea88 PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 44.900 24752.5 1 55.200 69307.0 2 57.100 118812.0 3 69.100 84158.5 2 71.100 84158.5 2 73.200 84158.5 2 74.000 34653.5 1 80.800 118812.0 3 83.200 153465.5 4 84.800 19802.0 1 87.800 59406.0 1 91.100 39604.0 1 92.200 331683.5 8 92.900 34653.5 1 97.100 89109.0 2 97.500 19802.0 1 101.100 44554.5 1 104.900 391089.5 9 106.900 54455.5 1 107.800 19802.0 1 111.500 133663.5 3 115.300 103960.5 2 117.100 282178.5 7 119.100 207921.0 5 129.000 49505.0 1 132.200 1678219.5 39 133.000 326733.0 8 135.000 59406.0 1 141.900 198020.0 5 146.900 19802.0 1 147.800 24752.5 1 157.100 242574.5 6 159.300 178218.0 4 160.100 43188162.0 999 175.400 188119.0 4 192.300 470297.5 11 //