MassBank Record: NGA00859



 Mangiferin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA00859
RECORD_TITLE: Mangiferin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-0ufr-0019200000-84c92a20a3d81d43a285 PK$NUM_PEAK: 143 PK$PEAK: m/z int. rel.int. 272.1 0.89 0 272.2 2.26 2 272.3 4.3 4 272.4 7.03 7 272.5 11.83 11 272.6 20.72 20 272.7 33.6 33 272.8 47.2 47 272.9 57.71 57 273.0 63.39 63 273.1 64.13 64 273.2 59.28 59 273.3 47.66 47 273.4 30.51 30 273.5 13.21 13 273.6 2.37 2 302.0 0.84 0 302.1 1.95 1 302.2 4.37 4 302.3 8.28 8 302.4 12.57 12 302.5 16.51 16 302.6 22.76 22 302.7 36.01 35 302.8 57.1 57 302.9 80.04 79 303.0 96.25 96 303.1 100.0 99 303.2 89.2 89 303.3 65.2 65 303.4 34.89 34 303.5 9.64 9 303.6 0.0 0 326.2 2.14 2 326.3 3.57 3 326.4 5.93 5 326.5 11.71 11 326.6 23.91 23 326.7 42.49 42 326.8 63.2 63 326.9 80.55 80 327.0 91.24 91 327.1 94.08 93 327.2 87.39 87 327.3 69.09 69 327.4 41.77 41 327.5 15.14 15 327.6 0.67 0 338.5 1.96 1 338.6 3.25 3 338.7 5.7 5 338.8 9.0 8 338.9 11.68 11 339.0 12.12 12 339.1 9.97 9 339.2 6.36 6 339.3 2.94 2 350.4 1.97 1 350.5 3.08 3 350.6 4.3 4 350.7 6.17 6 350.8 9.17 9 350.9 12.46 12 351.0 14.36 14 351.1 14.04 14 351.2 11.85 11 351.3 8.42 8 351.4 4.53 4 351.5 1.44 1 356.2 2.27 2 356.3 3.43 3 356.4 4.81 4 356.5 7.59 7 356.6 13.49 13 356.7 23.57 23 356.8 36.8 36 356.9 49.73 49 357.0 58.29 58 357.1 59.95 59 357.2 53.86 53 357.3 40.48 40 357.4 22.95 22 357.5 7.38 7 357.6 0.19 0 368.2 1.06 1 368.3 2.38 2 368.4 4.45 4 368.5 7.76 7 368.6 13.6 13 368.7 22.82 22 368.8 33.77 33 368.9 42.79 42 369.0 47.41 47 369.1 47.54 47 369.2 42.79 42 369.3 32.11 32 369.4 17.54 17 369.5 5.28 5 369.6 0.04 0 386.4 2.33 2 386.5 4.16 4 386.6 9.13 9 386.7 18.38 18 386.8 30.7 30 386.9 42.73 42 387.0 51.33 51 387.1 54.59 54 387.2 50.66 50 387.3 38.56 38 387.4 21.48 21 387.5 6.58 6 387.6 0.15 0 404.2 2.06 2 404.3 3.35 3 404.4 4.82 4 404.5 6.82 6 404.6 10.84 10 404.7 19.15 19 404.8 32.49 32 404.9 47.68 47 405.0 59.02 58 405.1 62.46 62 405.2 57.17 57 405.3 44.0 43 405.4 25.84 25 405.5 8.79 8 405.6 0.01 0 422.1 1.6 1 422.2 2.95 2 422.3 4.56 4 422.4 6.26 6 422.5 8.67 8 422.6 13.55 13 422.7 22.29 22 422.8 33.86 33 422.9 44.71 44 423.0 51.75 51 423.1 54.14 54 423.2 51.07 51 423.3 40.71 40 423.4 24.26 24 423.5 8.39 8 423.6 0.12 0 //