MassBank Record: FIO00314



 5,6-Dimethoxynaphtol[2,3-b]furan-4,9-dione; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FIO00314
RECORD_TITLE: 5,6-Dimethoxynaphtol[2,3-b]furan-4,9-dione; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
DATE: 2016.01.19 (Created 2013.03.13)
AUTHORS: Markus Kohlhoff, Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil)
LICENSE: CC BY-NC
COPYRIGHT: (c) Research Center Rene Rachou (FIOCRUZ, Brazil)
COMMENT: [Raw Data] CB136_5
COMMENT: 6-Dimethoxynaphtol[2,3-b]furan-4
COMMENT: 9-dione_pos_30eV_CB000048.txt

CH$NAME: 5,6-Dimethoxynaphtol[2,3-b]furan-4,9-dione CH$COMPOUND_CLASS: Unknown CH$FORMULA: C14H10O5 CH$EXACT_MASS: 258.05282 CH$SMILES: COc(c3)c(OC)c(c(=O)1)c(c3)c(=O)c(o2)c(cc2)1 CH$IUPAC: InChI=1S/C14H10O5/c1-17-9-4-3-7-10(14(9)18-2)11(15)8-5-6-19-13(8)12(7)16/h3-6H,1-2H3 CH$LINK: CAS 166448-18-6 CH$LINK: CHEMSPIDER 323238
AC$INSTRUMENT: maXis (Bruker Daltonics) AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 4500 V AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV AC$MASS_SPECTROMETRY: COLLISION_GAS Nitrogen AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 8 l/min AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: NEBULIZER 2.0 bar AC$CHROMATOGRAPHY: COLUMN_NAME Waters Atlantis C18 3um 2.1x150mm AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE RT AC$CHROMATOGRAPHY: FLOW_GRADIENT 1-100% B in 10min AC$CHROMATOGRAPHY: FLOW_RATE 200ul/min AC$CHROMATOGRAPHY: SOLVENT 0.1% formic acid in water (A) and methanol (B)
MS$FOCUSED_ION: BASE_PEAK 215.034000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-0390000000-6e6e84d626a6dbd33e39 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 132.056700 838.000000 13 135.044200 1075.000000 16 142.041500 1465.000000 22 160.051900 2552.000000 38 165.054800 2164.000000 32 170.036400 6167.000000 92 171.043100 1744.000000 26 175.075300 710.000000 11 185.059600 1413.000000 21 186.031200 1582.000000 24 187.038900 2427.000000 36 188.046600 2658.000000 40 198.031300 24849.000000 372 199.036600 3778.000000 57 200.045100 1027.000000 15 201.018600 819.000000 12 213.054700 689.000000 10 214.026200 6699.000000 100 215.034000 66657.000000 999 216.040400 16323.000000 245 217.043500 1876.000000 28 225.018500 1608.000000 24 226.026200 16693.000000 250 227.031200 2736.000000 41 229.049700 710.000000 11 230.057300 1528.000000 23 241.049600 753.000000 11 242.021100 3436.000000 51 243.028500 3101.000000 46 244.036700 21428.000000 321 245.040100 2501.000000 37 259.060300 3551.000000 53 //