MassBank Record: KO002621



 Carbendazim; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002621
RECORD_TITLE: Carbendazim; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 192 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-06rx-5900000000-05ffdb42cffce5ceb2a5 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 55.000 49505.0 16 64.900 1326734.0 429 69.400 14851.5 5 77.300 49505.0 16 78.000 94059.5 30 79.000 158416.0 51 80.000 153465.5 50 80.400 54455.5 18 90.100 1787130.5 578 91.000 99010.0 32 91.900 1826734.5 591 103.300 39604.0 13 105.200 3089112.0 999 106.200 222772.5 72 107.100 49505.0 16 107.900 59406.0 19 116.900 712872.0 231 118.100 84158.5 27 130.900 29703.0 10 132.100 2470299.5 799 132.900 163366.5 53 135.300 24752.5 8 141.000 24752.5 8 142.100 44554.5 14 159.700 267327.0 86 160.300 1430694.5 463 //