MassBank Record: BS003422



 7-Hydroxy-2'-methoxyflavone; 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: BS003422
RECORD_TITLE: 7-Hydroxy-2'-methoxyflavone; LC-ESI-QTOF; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 5 AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.0094 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 267.0609 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-0uk9-0590000000-f2228554aaa348555ac5 PK$NUM_PEAK: 215 PK$PEAK: m/z int. rel.int. 108.0201 2 2 116.0261 16 16 117.0345 315 315 118.0374 18 18 130.0420 2 2 131.0482 6 6 132.0206 84 84 133.0283 219 219 134.0311 15 15 135.0074 33 33 139.0531 2 2 144.0182 2 2 151.0528 4 4 152.0609 5 5 153.0173 3 3 154.0402 25 25 155.0466 3 3 157.0271 5 5 167.0464 29 29 168.0537 8 8 169.0635 4 4 175.0016 2 2 179.0462 52 52 180.0544 89 89 181.0244 2 2 181.0580 11 11 182.0338 3 3 183.0405 12 12 195.0411 180 180 196.0475 54 54 197.0534 11 11 207.0402 70 70 208.0479 44 44 209.0505 4 4 211.0350 21 21 212.0410 3 3 213.0511 9 9 222.0266 20 20 223.0354 340 340 224.0427 345 345 225.0460 42 42 226.0510 2 2 235.0359 10 10 250.0220 23 23 251.0304 999 999 252.0341 146 146 253.0385 10 10 267.0609 3 3 606.9432 2 2 668.6517 2 2 715.0040 2 2 744.4117 2 2 776.9324 2 2 789.7531 2 2 805.5304 2 2 814.1066 2 2 815.6989 2 2 828.1281 2 2 833.6837 2 2 847.3333 2 2 853.4257 2 2 877.8350 2 2 888.0694 2 2 888.8052 2 2 897.8492 2 2 900.2422 2 2 900.2889 2 2 902.5063 2 2 904.9904 2 2 914.6520 2 2 916.6518 2 2 921.1230 2 2 922.9326 2 2 932.6395 2 2 934.0787 2 2 942.1517 2 2 945.6973 2 2 949.7003 2 2 953.8773 2 2 958.5643 2 2 959.8881 2 2 965.6452 2 2 1001.5060 2 2 1007.0829 2 2 1009.9351 2 2 1011.0645 2 2 1011.5398 2 2 1012.0757 2 2 1012.6646 2 2 1013.7510 2 2 1014.3435 2 2 1014.9883 2 2 1015.0303 2 2 1022.6649 2 2 1026.7859 2 2 1028.4165 2 2 1028.5940 2 2 1030.0575 2 2 1031.4344 2 2 1035.5157 2 2 1038.1957 2 2 1039.6566 2 2 1041.1552 2 2 1042.0188 2 2 1042.5895 2 2 1055.1364 2 2 1056.2491 2 2 1057.8107 2 2 1060.1866 2 2 1067.8461 2 2 1069.8207 2 2 1070.1763 2 2 1072.6196 2 2 1094.5087 2 2 1094.8210 2 2 1095.2828 2 2 1098.5482 2 2 1100.7505 2 2 1101.0469 2 2 1103.8927 2 2 1114.9977 2 2 1116.3254 2 2 1119.5474 2 2 1122.9198 2 2 1123.8208 2 2 1129.6820 2 2 1134.7839 2 2 1146.0653 2 2 1149.4980 2 2 1157.4309 2 2 1157.6548 2 2 1166.9727 2 2 1171.8459 2 2 1177.6934 2 2 1180.4753 2 2 1182.5099 2 2 1185.4242 2 2 1191.9603 2 2 1193.1847 2 2 1201.3715 2 2 1201.7347 2 2 1202.6913 2 2 1206.2159 2 2 1207.6243 2 2 1208.2323 2 2 1212.6108 2 2 1214.8073 2 2 1218.0906 2 2 1222.6133 2 2 1232.9214 2 2 1236.0704 2 2 1246.3352 2 2 1250.0479 2 2 1250.2817 2 2 1259.1489 2 2 1259.9081 2 2 1263.3800 2 2 1264.2809 2 2 1275.1833 2 2 1278.5677 2 2 1295.4655 2 2 1301.8781 2 2 1310.3395 2 2 1315.0004 2 2 1317.1434 2 2 1324.3872 2 2 1325.6677 2 2 1335.7251 2 2 1336.9188 2 2 1342.2991 2 2 1345.7402 2 2 1346.0712 2 2 1347.8237 2 2 1351.0323 2 2 1355.3936 2 2 1366.6691 2 2 1368.2516 2 2 1376.1775 2 2 1379.3444 2 2 1383.3427 2 2 1383.9222 3 3 1385.4316 2 2 1385.5996 2 2 1386.5887 2 2 1397.2401 2 2 1407.1235 2 2 1410.2302 2 2 1420.2648 2 2 1421.6187 2 2 1426.4457 2 2 1428.3815 2 2 1435.7804 2 2 1438.0443 2 2 1438.5399 2 2 1440.6497 2 2 1441.6080 2 2 1442.0258 2 2 1442.6155 2 2 1446.1329 2 2 1446.2550 2 2 1452.6666 2 2 1453.6680 2 2 1456.7418 2 2 1457.8042 2 2 1458.7598 2 2 1461.4233 2 2 1470.5262 2 2 1470.6332 2 2 1475.5905 2 2 1479.7308 2 2 1481.3237 2 2 1490.6505 2 2 1495.0826 2 2 1497.5596 2 2 1504.0233 2 2 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)