ACCESSION: MSBNK-RIKEN_NPDepo-NGA03059
RECORD_TITLE: taxifolin; 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
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$SPLASH: splash10-0pb9-0971000000-4d78aab44fc3dc1cdf8e
PK$NUM_PEAK: 139
PK$PEAK: m/z int. rel.int.
  122.3 0.98 0
  122.4 2.78 2
  122.5 5.2 5
  122.6 7.87 7
  122.7 10.59 10
  122.8 13.49 13
  122.9 16.76 16
  123.0 20.04 20
  123.1 22.02 21
  123.2 20.93 20
  123.3 16.13 16
  123.4 9.32 9
  123.5 3.4 3
  148.3 0.41 0
  148.4 1.52 1
  148.5 4.58 4
  148.6 10.16 10
  148.7 17.67 17
  148.8 24.85 24
  148.9 29.39 29
  149.0 31.02 30
  149.1 31.0 30
  149.2 29.4 29
  149.3 24.55 24
  149.4 16.02 16
  149.5 6.81 6
  149.6 1.07 1
  152.2 0.92 0
  152.3 2.41 2
  152.4 5.95 5
  152.5 12.43 12
  152.6 23.28 23
  152.7 38.89 38
  152.8 56.1 56
  152.9 69.34 69
  153.0 75.35 75
  153.1 75.45 75
  153.2 71.68 71
  153.3 62.75 62
  153.4 46.39 46
  153.5 25.28 25
  153.6 7.15 7
  153.7 0.0 0
  160.6 1.68 1
  160.7 3.08 3
  160.8 4.58 4
  160.9 5.84 5
  161.0 6.53 6
  161.1 6.22 6
  161.2 4.82 4
  161.3 2.87 2
  166.6 1.75 1
  166.7 3.69 3
  166.8 5.79 5
  166.9 7.43 7
  167.0 8.67 8
  167.1 9.67 9
  167.2 9.79 9
  167.3 8.11 8
  167.4 4.9 4
  167.5 1.7 1
  178.6 2.06 2
  178.7 3.13 3
  178.8 4.24 4
  178.9 5.25 5
  179.0 6.12 6
  179.1 6.58 6
  179.2 6.02 6
  179.3 4.24 4
  179.4 2.03 2
  194.4 2.04 2
  194.5 3.74 3
  194.6 6.45 6
  194.7 11.22 11
  194.8 18.67 18
  194.9 26.98 26
  195.0 32.83 32
  195.1 34.94 34
  195.2 33.94 33
  195.3 29.18 29
  195.4 19.62 19
  195.5 8.07 8
  195.6 0.23 0
  230.4 1.89 1
  230.5 3.42 3
  230.6 5.91 5
  230.7 9.81 9
  230.8 15.41 15
  230.9 21.9 21
  231.0 27.28 27
  231.1 29.75 29
  231.2 28.79 28
  231.3 24.57 24
  231.4 17.37 17
  231.5 8.83 8
  231.6 2.18 2
  258.2 1.31 1
  258.3 3.58 3
  258.4 7.6 7
  258.5 14.33 14
  258.6 25.12 25
  258.7 40.79 40
  258.8 60.27 60
  258.9 79.73 79
  259.0 94.05 93
  259.1 100.0 99
  259.2 96.38 96
  259.3 81.68 81
  259.4 56.0 55
  259.5 26.38 26
  259.6 4.41 4
  286.3 0.79 0
  286.4 2.24 2
  286.5 4.45 4
  286.6 7.12 7
  286.7 10.76 10
  286.8 16.09 16
  286.9 22.52 22
  287.0 27.88 27
  287.1 30.21 30
  287.2 28.68 28
  287.3 23.19 23
  287.4 14.73 14
  287.5 6.12 6
  287.6 0.95 0
  304.3 0.74 0
  304.4 2.18 2
  304.5 4.55 4
  304.6 7.43 7
  304.7 10.43 10
  304.8 13.53 13
  304.9 17.14 17
  305.0 21.57 21
  305.1 26.16 26
  305.2 28.39 28
  305.3 25.22 25
  305.4 16.55 16
  305.5 6.56 6
  305.6 0.21 0
//