MassBank Record: BS003292



 6-Methoxyluteolin; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: BS003292
RECORD_TITLE: 6-Methoxyluteolin; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
DATE: 2017.12.01 (2013.11.09)
AUTHORS: , Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LICENSE: CC BY-NC-SA 4.0 International

CH$NAME: 6-Methoxyluteolin CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C16H12O7 CH$EXACT_MASS: 316.0583 CH$SMILES: C(OC1=C(C2=C(C(=C1O[H])[H])OC(=C(C2=O)[H])C3=C(C(=C(C(=C3[H])[H])O[H])O[H])[H])O[H])([H])([H])[H] CH$IUPAC: InChI=1S/C16H12O7/c1-22-16-11(20)6-13-14(15(16)21)10(19)5-12(23-13)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3 CH$LINK: INCHIKEY FHHSEFRSDKWJKJ-UHFFFAOYSA-N CH$LINK: CAS 520-11-6 CH$LINK: COMPTOX DTXSID10199959
AC$INSTRUMENT: Bruker impact HD AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 5 AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.02 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8831-2005.3 AC$CHROMATOGRAPHY: COLUMN_NAME Waters Acquity BEH C18 1.7um x 2.1 x 150 mm AC$CHROMATOGRAPHY: FLOW_GRADIENT 95/5 at 0 min, 20/80 at 35 min; 5/95 at 35 min, 5/95 at 38 min; 95/5 at 38.1 min, 95/5 at 45 min AC$CHROMATOGRAPHY: FLOW_RATE FLOW_RATE 560 uL / min AC$CHROMATOGRAPHY: SOLVENT A water with 0.05% formic acid AC$CHROMATOGRAPHY: SOLVENT B acetonitrile with 0.05 % formic acid AC$CHROMATOGRAPHY: RETENTION_TIME 528 sec
MS$FOCUSED_ION: PRECURSOR_M/Z 315.1 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-0ug0-0792000000-b0493b07c4cff8abe96d PK$NUM_PEAK: 71 PK$PEAK: m/z int. rel.int. 108.0216 53 53 110.0019 157 157 111.0094 42 42 119.0132 72 72 123.0091 35 35 124.0172 40 40 124.9874 44 44 132.0216 154 154 133.0296 310 310 134.0378 147 147 135.0351 47 47 135.0436 47 47 136.9884 854 854 137.9934 74 74 139.0039 127 127 146.0372 73 73 148.0374 42 42 149.9961 65 65 158.0386 110 110 159.0453 34 34 163.0050 71 71 164.0117 54 54 164.9905 44 44 165.9906 247 247 166.9979 68 68 170.0379 37 37 171.0444 65 65 172.0504 88 88 173.0269 49 49 174.0321 112 112 175.0386 54 54 185.0266 40 40 186.0306 57 57 187.0398 65 65 188.0469 66 66 191.0013 46 46 198.0329 65 65 199.0400 182 182 200.0461 108 108 201.0198 321 321 202.0256 228 228 203.0346 43 43 211.0390 41 41 213.0197 116 116 214.0256 92 92 215.0354 131 131 216.0421 165 165 226.0277 94 94 227.0350 410 410 228.0414 464 464 229.0257 112 112 230.0217 180 180 231.0284 52 52 239.0348 54 54 241.0138 97 97 242.0192 91 91 243.0292 407 407 244.0360 92 92 255.0295 151 151 256.0361 43 43 257.0173 35 35 269.0073 93 93 270.0155 186 186 271.0240 166 166 272.0301 121 121 273.0303 40 40 282.0177 38 38 283.0237 83 83 299.0194 216 216 300.0269 999 999 301.0306 122 122 //

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