MassBank Record: KO002618



 Carbendazim; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002618
RECORD_TITLE: Carbendazim; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 192 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0900000000-9d9c815da13027c56035 PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 54.900 24752.5 1 57.100 108911.0 2 58.800 34653.5 1 63.100 44554.5 1 69.300 64356.5 1 70.900 163366.5 4 72.900 44554.5 1 80.700 198020.0 4 82.200 14851.5 1 82.900 123762.5 3 83.500 49505.0 1 85.000 39604.0 1 85.500 19802.0 1 87.900 54455.5 1 88.700 19802.0 1 91.800 148515.0 3 92.400 59406.0 1 95.100 54455.5 1 97.000 113861.5 3 98.900 54455.5 1 100.700 99010.0 2 101.000 247525.0 6 104.900 49505.0 1 110.900 351485.5 8 113.400 69307.0 2 115.100 183168.5 4 116.900 64356.5 1 118.800 69307.0 2 122.100 69307.0 2 125.200 74257.5 2 129.100 54455.5 1 130.900 69307.0 2 133.000 94059.5 2 133.300 19802.0 1 139.100 49505.0 1 143.100 455446.0 10 148.000 19802.0 1 157.400 207921.0 5 160.100 44633708.0 999 160.900 24752.5 1 175.100 1678219.5 38 192.400 21316853.0 477 //