MassBank Record: CB000247



 Felamidin; LC-ESI-QQQ; MS; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: CB000247
RECORD_TITLE: Felamidin; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant, Coumarins

CH$NAME: Felamidin CH$COMPOUND_CLASS: Benzopyranoids CH$FORMULA: C21H18O5 CH$EXACT_MASS: 350.37461 CH$SMILES: CC(C)(OC(=O)c1ccccc1)C1Cc2cc3ccc(=O)oc3cc2O1 CH$IUPAC: InChI=1S/C21H18O5/c1-21(2,26-20(23)13-6-4-3-5-7-13)18-11-15-10-14-8-9-19(22)25-16(14)12-17(15)24-18/h3-10,12,18H,11H2,1-2H3 CH$LINK: CAS 17559-85-2 CH$LINK: PUBCHEM CID:895427 CH$LINK: INCHIKEY VIPXLQMQEIDXMH-UHFFFAOYSA-N
AC$INSTRUMENT: ABSciex API3200 LC/MS system AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-0039000000-6e89d81fc0344255b46c PK$NUM_PEAK: 66 PK$PEAK: m/z int. rel.int. 100.6000 128980.6719 45 228.4000 314736.7188 112 228.5000 639788.4375 229 228.6000 925380.3750 332 228.7000 967268.8750 347 228.8000 996242.6250 357 228.9000 1066790.5000 383 229.0000 1043188.6250 374 229.1000 1137652.7500 408 229.2000 1022444.5625 367 229.3000 905179.0625 325 229.4000 875376.8125 314 229.5000 321823.0000 114 229.6000 228159.1406 81 229.7000 174812.4688 61 229.8000 142724.5000 50 229.9000 183270.2344 65 230.0000 174469.6094 61 230.1000 189184.9219 67 230.2000 187041.9219 66 230.3000 160697.1875 56 230.4000 148724.9219 52 230.5000 62033.0078 21 350.3000 70576.4609 24 350.4000 667390.5625 239 350.5000 1568997.5000 564 350.6000 2102835.7500 756 350.7000 2248160.2500 808 350.8000 2408543.0000 866 350.9000 2571240.7500 925 351.0000 2776055.5000 999 351.1000 2304936.2500 829 351.2000 2122123.0000 763 351.3000 2490606.5000 896 351.4000 1184456.1250 425 351.5000 734623.8125 263 351.6000 691763.6875 248 351.7000 679077.0625 243 351.8000 649217.8125 232 351.9000 665304.6250 238 352.0000 599128.5000 214 352.1000 607414.7500 217 352.2000 560040.0000 200 352.3000 467147.6563 167 352.4000 381112.9063 136 352.5000 152868.0781 54 352.6000 132009.4219 46 352.7000 120980.0781 42 352.8000 110093.5781 38 352.9000 93378.0781 32 353.0000 127409.1172 44 353.1000 98264.1641 34 353.2000 112608.0391 39 353.3000 93035.2109 32 353.4000 65861.8438 22 391.6000 61604.4063 21 391.8000 61718.6914 21 391.9000 75776.8359 26 392.0000 61204.3672 21 392.2000 61232.9414 21 700.6000 75033.9219 26 700.7000 91692.2656 32 700.8000 82034.4219 28 700.9000 80777.1953 28 701.0000 65376.0938 22 701.1000 70119.2969 24 //