MassBank Record: FIO00315



 5,6-Dimethoxynaphtol[2,3-b]furan-4,9-dione; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FIO00315
RECORD_TITLE: 5,6-Dimethoxynaphtol[2,3-b]furan-4,9-dione; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
DATE: 2016.01.19 (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_40eV_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 CH$LINK: INCHIKEY VMGYORRTCREVTB-UHFFFAOYSA-N
AC$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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$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$FOCUSED_ION: BASE_PEAK 215.033600 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-0960000000-98f6198a35b415e3dcfe PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 105.033700 550.000000 13 114.046600 5299.000000 123 115.052800 753.000000 17 121.028800 1016.000000 23 130.041500 781.000000 18 131.049300 3077.000000 71 132.056800 2435.000000 56 135.044300 1016.000000 23 141.033400 656.000000 15 142.041500 10037.000000 232 143.045900 1033.000000 24 158.036300 3086.000000 71 159.044100 4567.000000 106 160.051500 3046.000000 70 165.054800 1710.000000 40 169.028300 1434.000000 33 170.036200 15948.000000 369 171.042100 2635.000000 61 173.023400 848.000000 20 185.059800 454.000000 11 186.031000 6199.000000 143 187.038500 6411.000000 148 188.045000 1427.000000 33 197.023300 4994.000000 116 198.030900 18431.000000 426 199.035700 2576.000000 60 201.018000 3022.000000 70 213.017800 478.000000 11 214.025800 5420.000000 125 215.033600 43192.000000 999 216.038300 5850.000000 135 217.041000 613.000000 14 225.018600 1498.000000 35 226.025800 4655.000000 108 227.031800 1394.000000 32 241.012800 696.000000 16 242.020300 765.000000 18 243.028300 2134.000000 49 244.035800 1393.000000 32 //