MassBank Record: NGA00858



 Mangiferin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA00858
RECORD_TITLE: Mangiferin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant

CH$NAME: Mangiferin CH$COMPOUND_CLASS: Polyketides CH$FORMULA: C19H18O11 CH$EXACT_MASS: 422.34871000000004 CH$SMILES: O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12 CH$IUPAC: InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1 CH$LINK: CAS 4773-96-0 CH$LINK: PUBCHEM CID:4444966 4513535 4576511 17600644 CH$LINK: INCHIKEY AEDDIBAIWPIIBD-ZJKJAXBQSA-N
AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0fmi-0039000000-0a4abfc3573a6fb985e8 PK$NUM_PEAK: 132 PK$PEAK: m/z int. rel.int. 272.1 1.36 1 272.2 2.88 2 272.3 5.74 5 272.4 9.89 9 272.5 16.0 15 272.6 26.07 26 272.7 41.87 41 272.8 62.49 62 272.9 83.19 83 273.0 97.38 97 273.1 100.0 99 273.2 89.08 88 273.3 66.08 66 273.4 37.02 36 273.5 11.83 11 273.6 0.07 0 284.7 3.37 3 284.8 4.42 4 284.9 5.78 5 285.0 6.75 6 285.1 6.4 6 285.2 4.59 4 285.3 2.29 2 298.7 3.77 3 298.8 5.35 5 298.9 7.35 7 299.0 8.93 8 299.1 9.07 9 299.2 7.35 7 299.3 4.53 4 299.4 1.93 1 302.2 2.61 2 302.3 4.59 4 302.4 7.5 7 302.5 11.74 11 302.6 19.15 19 302.7 32.76 32 302.8 53.42 53 302.9 75.74 75 303.0 89.67 89 303.1 88.69 88 303.2 75.09 75 303.3 55.39 55 303.4 34.24 34 303.5 15.0 14 303.6 2.23 2 326.1 1.44 1 326.2 2.84 2 326.3 5.14 5 326.4 8.23 8 326.5 12.59 12 326.6 20.28 20 326.7 33.19 33 326.8 50.06 50 326.9 67.09 67 327.0 81.09 81 327.1 89.07 88 327.2 85.71 85 327.3 66.98 66 327.4 37.89 37 327.5 11.57 11 327.6 0.25 0 338.4 1.88 1 338.5 3.08 3 338.6 5.16 5 338.7 8.11 8 338.8 11.36 11 338.9 14.17 14 339.0 15.86 15 339.1 15.53 15 339.2 12.59 12 339.3 7.76 7 339.4 3.08 3 350.4 2.88 2 350.5 3.7 3 350.6 5.33 5 350.7 8.43 8 350.8 12.81 12 350.9 17.28 17 351.0 20.33 20 351.1 20.9 20 351.2 18.6 18 351.3 13.69 13 351.4 7.51 7 351.5 2.41 2 356.4 2.67 2 356.5 3.77 3 356.6 5.54 5 356.7 8.78 8 356.8 13.67 13 356.9 19.07 19 357.0 22.95 22 357.1 23.6 23 357.2 20.48 20 357.3 14.38 14 357.4 7.32 7 357.5 1.86 1 368.5 3.53 3 368.6 6.83 6 368.7 13.81 13 368.8 21.98 21 368.9 27.78 27 369.0 29.7 29 369.1 28.55 28 369.2 24.98 24 369.3 18.64 18 369.4 10.34 10 369.5 3.26 3 386.3 1.68 1 386.4 2.85 2 386.5 4.11 4 386.6 6.51 6 386.7 11.96 11 386.8 20.53 20 386.9 29.09 29 387.0 33.97 33 387.1 33.93 33 387.2 29.46 29 387.3 21.28 21 387.4 11.34 11 387.5 3.26 3 404.5 1.89 1 404.6 3.34 3 404.7 6.05 6 404.8 8.82 8 404.9 9.94 9 405.0 9.44 9 405.1 8.9 8 405.2 8.85 8 405.3 7.99 7 405.4 5.49 5 405.5 2.47 2 //