MassBank Record: MSBNK-RIKEN_NPDepo-NGA00859
ACCESSION: MSBNK-RIKEN_NPDepo-NGA00859
RECORD_TITLE: Mangiferin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
CH$NAME: Mangiferin
CH$COMPOUND_CLASS: Polyketides
CH$FORMULA: C19H18O11
CH$EXACT_MASS: 422.3487
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: CHEMSPIDER
4444966 4513535 4576511 17600644
CH$LINK: INCHIKEY
AEDDIBAIWPIIBD-ZJKJAXBQSA-N
CH$LINK: COMPTOX
DTXSID60197263
CH$LINK: PUBCHEM
CID:5281647
AC$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
//