ACCESSION: MSBNK-RIKEN_NPDepo-NGA03060
RECORD_TITLE: taxifolin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$SPLASH: splash10-0a4i-0689000000-02085b1e51316f83aeee
PK$NUM_PEAK: 86
PK$PEAK: m/z int. rel.int.
  148.6 2.15 2
  148.7 3.33 3
  148.8 5.11 5
  148.9 6.81 6
  149.0 7.68 7
  149.1 7.58 7
  149.2 6.65 6
  149.3 4.92 4
  149.4 2.69 2
  152.3 1.69 1
  152.4 3.76 3
  152.5 7.42 7
  152.6 12.5 12
  152.7 18.57 18
  152.8 25.13 25
  152.9 31.49 31
  153.0 36.77 36
  153.1 39.97 39
  153.2 39.51 39
  153.3 33.65 33
  153.4 22.74 22
  153.5 10.57 10
  153.6 1.97 1
  194.4 1.66 1
  194.5 3.45 3
  194.6 6.39 6
  194.7 9.83 9
  194.8 12.81 12
  194.9 15.15 15
  195.0 17.3 17
  195.1 18.99 18
  195.2 18.69 18
  195.3 15.08 15
  195.4 8.96 8
  195.5 3.11 3
  230.7 2.59 2
  230.8 3.8 3
  230.9 5.05 5
  231.0 6.21 6
  231.1 7.13 7
  231.2 7.44 7
  231.3 6.53 6
  231.4 4.26 4
  231.5 1.61 1
  258.3 0.66 0
  258.4 3.04 3
  258.5 7.4 7
  258.6 13.07 13
  258.7 20.29 20
  258.8 29.98 29
  258.9 41.26 41
  259.0 51.01 50
  259.1 56.67 56
  259.2 57.08 57
  259.3 50.54 50
  259.4 36.05 36
  259.5 17.68 17
  259.6 3.31 3
  286.4 1.68 1
  286.5 3.75 3
  286.6 7.12 7
  286.7 12.02 12
  286.8 18.56 18
  286.9 25.74 25
  287.0 31.16 31
  287.1 32.51 32
  287.2 29.09 29
  287.3 21.81 21
  287.4 12.69 12
  287.5 4.58 4
  304.2 0.54 0
  304.3 1.98 1
  304.4 5.63 5
  304.5 10.72 10
  304.6 18.02 18
  304.7 30.7 30
  304.8 50.53 50
  304.9 73.35 73
  305.0 91.44 91
  305.1 100.0 99
  305.2 97.91 97
  305.3 83.96 83
  305.4 58.43 58
  305.5 28.44 28
  305.6 5.64 5
  305.7 0.0 0
//