ACCESSION: MSBNK-RIKEN_NPDepo-NGA03058
RECORD_TITLE: taxifolin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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$SPLASH: splash10-0udi-0950000000-4d07f961da68a4098436
PK$NUM_PEAK: 127
PK$PEAK: m/z int. rel.int.
  122.3 0.95 0
  122.4 3.37 3
  122.5 7.12 7
  122.6 11.47 11
  122.7 16.27 16
  122.8 22.66 22
  122.9 30.86 30
  123.0 38.16 38
  123.1 40.99 40
  123.2 38.42 38
  123.3 31.78 31
  123.4 22.34 22
  123.5 11.7 11
  123.6 3.01 3
  148.2 0.7 0
  148.3 1.85 1
  148.4 4.68 4
  148.5 9.83 9
  148.6 18.38 18
  148.7 31.75 31
  148.8 48.83 48
  148.9 64.38 64
  149.0 73.01 72
  149.1 73.81 73
  149.2 68.38 68
  149.3 56.44 56
  149.4 37.87 37
  149.5 17.64 17
  149.6 3.33 3
  152.2 0.61 0
  152.3 2.69 2
  152.4 7.29 7
  152.5 14.62 14
  152.6 25.4 25
  152.7 40.65 40
  152.8 60.26 60
  152.9 80.57 80
  153.0 95.23 95
  153.1 99.99 99
  153.2 94.94 94
  153.3 80.71 80
  153.4 57.34 57
  153.5 29.29 29
  153.6 6.71 6
  153.7 0.0 0
  160.6 1.96 1
  160.7 4.06 4
  160.8 6.67 6
  160.9 8.05 8
  161.0 7.63 7
  161.1 6.79 6
  161.2 6.66 6
  161.3 6.28 6
  161.4 4.38 4
  161.5 1.69 1
  166.4 1.4 1
  166.5 2.43 2
  166.6 4.07 4
  166.7 6.75 6
  166.8 10.21 10
  166.9 13.34 13
  167.0 15.17 15
  167.1 15.54 15
  167.2 14.45 14
  167.3 11.61 11
  167.4 7.25 7
  167.5 2.86 2
  194.4 0.99 0
  194.5 2.18 2
  194.6 4.81 4
  194.7 9.48 9
  194.8 15.17 15
  194.9 19.5 19
  195.0 21.16 21
  195.1 20.88 20
  195.2 19.27 19
  195.3 15.54 15
  195.4 9.54 9
  195.5 3.5 3
  230.3 1.28 1
  230.4 3.72 3
  230.5 8.41 8
  230.6 15.54 15
  230.7 24.85 24
  230.8 35.66 35
  230.9 46.78 46
  231.0 56.13 56
  231.1 61.14 61
  231.2 59.71 59
  231.3 50.83 50
  231.4 35.5 35
  231.5 17.95 17
  231.6 4.32 4
  240.6 0.32 0
  240.7 2.16 2
  240.8 5.43 5
  240.9 8.79 8
  241.0 10.7 10
  241.1 10.62 10
  241.2 8.95 8
  241.3 6.29 6
  241.4 3.35 3
  258.3 2.19 2
  258.4 3.17 3
  258.5 6.83 6
  258.6 13.92 13
  258.7 25.56 25
  258.8 41.43 41
  258.9 57.32 57
  259.0 67.73 67
  259.1 70.37 70
  259.2 65.26 65
  259.3 51.89 51
  259.4 31.99 31
  259.5 12.5 12
  259.6 1.31 1
  286.5 1.78 1
  286.6 3.08 3
  286.7 4.91 4
  286.8 7.41 7
  286.9 10.36 10
  287.0 13.34 13
  287.1 15.59 15
  287.2 15.72 15
  287.3 12.6 12
  287.4 7.13 7
  287.5 2.05 2
//