MassBank Record: BS003420



 7-Hydroxy-2'-methoxyflavone; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: BS003420
RECORD_TITLE: 7-Hydroxy-2'-methoxyflavone; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
DATE: 2017.12.01 (2014.07.26)
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$NAME: 7-Hydroxy-2'-methoxyflavone CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C16H12O4 CH$EXACT_MASS: 268.0736 CH$SMILES: O=C1C=2C(OC(=C1[H])C=3C(=C(C(=C(C3OC([H])([H])[H])[H])[H])[H])[H])=C(C(O[H])=C(C2[H])[H])[H] CH$IUPAC: InChI=1S/C16H12O4/c1-19-14-5-3-2-4-12(14)16-9-13(18)11-7-6-10(17)8-15(11)20-16/h2-9,17H,1H3 CH$LINK: INCHIKEY PFEQKIBOPJQNBI-UHFFFAOYSA-N CH$LINK: CAS 77298-65-8
AC$INSTRUMENT: Bruker impact HD AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 5 AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.013 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8486-1505.15 AC$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$CHROMATOGRAPHY: RETENTION_TIME 713.4 sec
MS$FOCUSED_ION: PRECURSOR_M/Z 267.0623 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-0uxr-0090000000-90f66cdd8cd892da9209 PK$NUM_PEAK: 124 PK$PEAK: m/z int. rel.int. 117.0333 1 1 131.0494 3 3 132.0204 4 4 133.0278 1 1 135.0070 2 2 154.0408 1 1 180.0547 10 10 183.0423 1 1 195.0409 5 5 196.0488 5 5 197.0548 1 1 207.0417 1 1 208.0485 25 25 209.0534 3 3 211.0355 4 4 223.0353 22 22 223.0710 2 2 224.0434 131 131 225.0467 17 17 235.0353 1 1 251.0309 417 417 252.0385 881 881 253.0415 90 90 254.0440 6 6 267.0623 999 999 268.0651 127 127 269.0672 8 8 911.2343 1 1 959.6270 1 1 978.1511 1 1 994.6824 1 1 1007.0812 1 1 1013.3096 1 1 1077.9021 1 1 1097.8723 1 1 1099.0066 1 1 1125.5154 1 1 1135.9399 1 1 1156.4038 1 1 1163.5453 1 1 1165.4517 1 1 1172.5790 1 1 1176.3112 1 1 1178.9849 1 1 1185.2083 1 1 1191.3187 1 1 1192.4047 1 1 1196.9674 1 1 1200.9812 1 1 1208.0709 1 1 1210.7059 1 1 1218.3585 1 1 1234.1226 1 1 1237.3964 1 1 1237.6426 1 1 1243.0089 1 1 1244.0206 1 1 1246.2531 1 1 1248.7623 1 1 1251.1320 1 1 1251.4479 1 1 1269.3555 1 1 1272.9681 1 1 1276.1095 1 1 1276.6730 1 1 1279.1218 1 1 1288.4652 1 1 1311.3188 1 1 1314.2140 1 1 1315.5474 1 1 1315.6871 1 1 1316.9716 1 1 1322.7451 1 1 1324.7474 1 1 1325.3890 1 1 1343.3007 1 1 1344.0546 1 1 1359.8885 1 1 1362.8657 1 1 1366.4607 1 1 1366.6561 1 1 1367.2219 1 1 1368.6276 1 1 1373.7714 1 1 1376.2584 1 1 1377.3796 1 1 1380.2626 1 1 1385.0413 1 1 1388.4204 1 1 1388.6016 1 1 1390.3708 1 1 1390.8749 1 1 1398.4923 1 1 1402.3591 1 1 1404.5642 1 1 1404.6017 1 1 1408.5618 1 1 1419.8602 1 1 1423.0789 1 1 1424.2499 1 1 1427.0945 1 1 1427.1331 1 1 1428.6740 1 1 1436.6422 1 1 1439.9500 1 1 1443.4133 1 1 1444.5527 1 1 1444.7990 1 1 1445.3640 1 1 1451.9147 1 1 1454.3287 1 1 1455.2269 1 1 1458.5123 1 1 1459.0718 1 1 1460.6980 1 1 1461.7761 1 1 1475.1257 1 1 1475.2390 1 1 1477.3560 1 1 1480.9602 1 1 1482.8928 1 1 1485.6346 1 1 1501.6052 1 1 1504.8433 1 1 //

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