MassBank Record: NGA00860



 Mangiferin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA00860
RECORD_TITLE: Mangiferin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$SPLASH: splash10-00di-0004900000-00af416c593580b14d9f PK$NUM_PEAK: 90 PK$PEAK: m/z int. rel.int. 272.7 3.42 3 272.8 4.64 4 272.9 6.22 6 273.0 7.55 7 273.1 7.7 7 273.2 6.26 6 273.3 3.77 3 302.4 2.2 2 302.5 3.39 3 302.6 5.35 5 302.7 8.55 8 302.8 12.8 12 302.9 16.93 16 303.0 19.66 19 303.1 20.51 20 303.2 19.25 19 303.3 15.27 15 303.4 9.02 9 303.5 2.98 2 326.5 2.19 2 326.6 4.06 4 326.7 6.76 6 326.8 10.2 10 326.9 13.69 13 327.0 16.18 16 327.1 16.71 16 327.2 14.71 14 327.3 10.39 10 327.4 5.2 5 327.5 1.31 1 356.4 1.35 1 356.5 2.44 2 356.6 4.57 4 356.7 8.01 8 356.8 12.15 12 356.9 15.58 15 357.0 16.92 16 357.1 15.66 15 357.2 12.13 12 357.3 7.42 7 357.4 3.05 3 368.6 2.1 2 368.7 3.44 3 368.8 5.52 5 368.9 7.65 7 369.0 8.84 8 369.1 8.44 8 369.2 6.65 6 369.3 4.28 4 369.4 2.16 2 386.5 1.52 1 386.6 2.96 2 386.7 4.92 4 386.8 6.83 6 386.9 8.54 8 387.0 10.46 10 387.1 12.29 12 387.2 12.42 12 387.3 9.74 9 387.4 5.32 5 387.5 1.53 1 404.4 3.23 3 404.5 4.19 4 404.6 6.32 6 404.7 10.99 10 404.8 18.22 18 404.9 25.82 25 405.0 30.77 30 405.1 31.55 31 405.2 28.5 28 405.3 22.44 22 405.4 14.27 14 405.5 6.09 6 405.6 0.71 0 422.2 1.24 1 422.3 2.4 2 422.4 4.95 4 422.5 10.18 10 422.6 20.56 20 422.7 38.03 37 422.8 60.7 60 422.9 82.38 82 423.0 96.46 96 423.1 100.0 99 423.2 93.11 93 423.3 76.21 76 423.4 51.12 51 423.5 24.35 24 423.6 5.39 5 423.7 0.0 0 //