ACCESSION: MSBNK-RIKEN_NPDepo-NGA03057
RECORD_TITLE: taxifolin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: Formula(Parent): C15H12O7
COMMENT: Bottle Name:(+-)-Taxifolin
COMMENT: PRIME Parent Name:Dihydroquercetin
COMMENT: PRIME in-house No.:S0088, Pyrans

CH$NAME: Dihydro-Quer
CH$NAME: Taxifolin
CH$NAME: (2R,3R)-3,3',4',5,7-Pentahydroxyflavanone
CH$NAME: trans-Dihydroquercetin
CH$NAME: Distylin
CH$NAME: Taxifoliol
CH$NAME: Catechin
CH$NAME: taxifolin
CH$COMPOUND_CLASS: Flavonoids
CH$FORMULA: C₁₅H₁₂O₇
CH$EXACT_MASS: 304.2587
CH$SMILES: O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O
CH$IUPAC: InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H
CH$LINK: CAS 480-18-2
CH$LINK: CHEMSPIDER 621332
CH$LINK: INCHIKEY CXQWRCVTCMQVQX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:471

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$SPLASH: splash10-0f6t-0920000000-529b643c71687d188e24
PK$NUM_PEAK: 157
PK$PEAK: m/z int. rel.int.
  110.6 1.87 1
  110.7 3.07 3
  110.8 4.41 4
  110.9 5.27 5
  111.0 5.21 5
  111.1 4.36 4
  111.2 3.16 3
  120.6 2.02 2
  120.7 3.76 3
  120.8 6.06 6
  120.9 7.7 7
  121.0 7.49 7
  121.1 5.67 5
  121.2 3.65 3
  122.2 0.36 0
  122.3 2.17 2
  122.4 5.64 5
  122.5 11.3 11
  122.6 19.89 19
  122.7 31.78 31
  122.8 45.77 45
  122.9 58.55 58
  123.0 66.38 66
  123.1 67.55 67
  123.2 62.43 62
  123.3 51.3 51
  123.4 34.64 34
  123.5 16.27 16
  123.6 2.72 2
  132.8 2.69 2
  132.9 4.54 4
  133.0 6.25 6
  133.1 6.83 6
  133.2 6.06 6
  133.3 4.32 4
  133.4 2.24 2
  138.6 2.38 2
  138.7 3.35 3
  138.8 4.79 4
  138.9 6.44 6
  139.0 7.28 7
  139.1 6.68 6
  139.2 5.2 5
  139.3 3.68 3
  139.4 2.39 2
  148.2 1.37 1
  148.3 2.88 2
  148.4 7.33 7
  148.5 16.27 16
  148.6 29.65 29
  148.7 47.21 47
  148.8 67.74 67
  148.9 86.95 86
  149.0 98.76 98
  149.1 99.99 99
  149.2 91.05 90
  149.3 72.55 72
  149.4 46.31 46
  149.5 19.62 19
  149.6 2.8 2
  152.3 1.7 1
  152.4 4.58 4
  152.5 11.9 11
  152.6 25.23 25
  152.7 43.81 43
  152.8 64.58 64
  152.9 83.19 83
  153.0 95.01 94
  153.1 96.96 96
  153.2 88.69 88
  153.3 71.45 71
  153.4 47.6 47
  153.5 22.62 22
  153.6 4.31 4
  160.6 2.79 2
  160.7 4.37 4
  160.8 6.24 6
  160.9 7.96 7
  161.0 9.06 9
  161.1 9.43 9
  161.2 9.21 9
  161.3 8.14 8
  161.4 5.81 5
  161.5 2.76 2
  166.6 2.66 2
  166.7 4.01 4
  166.8 5.71 5
  166.9 7.4 7
  167.0 8.75 8
  167.1 9.43 9
  167.2 9.0 8
  167.3 7.15 7
  167.4 4.34 4
  167.5 1.7 1
  174.8 1.5 1
  174.9 3.11 3
  175.0 4.39 4
  175.1 4.58 4
  175.2 3.56 3
  184.5 2.35 2
  184.6 3.7 3
  184.7 5.85 5
  184.8 8.29 8
  184.9 9.88 9
  185.0 10.04 10
  185.1 9.61 9
  185.2 9.62 9
  185.3 9.5 9
  185.4 7.8 7
  185.5 4.53 4
  185.6 1.44 1
  194.6 1.18 1
  194.7 2.5 2
  194.8 4.26 4
  194.9 5.62 5
  195.0 5.99 5
  195.1 5.41 5
  195.2 4.19 4
  195.3 2.61 2
  212.5 1.34 1
  212.6 3.17 3
  212.7 6.12 6
  212.8 9.41 9
  212.9 12.33 12
  213.0 15.11 15
  213.1 17.57 17
  213.2 17.68 17
  213.3 13.51 13
  213.4 6.55 6
  213.5 0.89 0
  230.3 0.41 0
  230.4 2.37 2
  230.5 7.89 7
  230.6 16.46 16
  230.7 26.62 26
  230.8 37.63 37
  230.9 50.11 50
  231.0 62.49 62
  231.1 69.55 69
  231.2 66.75 66
  231.3 54.33 54
  231.4 36.23 36
  231.5 17.68 17
  231.6 4.11 4
  240.9 4.64 4
  241.0 6.89 6
  241.1 9.14 9
  241.2 10.08 10
  241.3 8.85 8
  241.4 5.74 5
  241.5 2.29 2
  258.8 1.21 1
  258.9 2.9 2
  259.0 5.15 5
  259.1 6.53 6
  259.2 5.89 5
  259.3 3.63 3
//