ACCESSION: MSBNK-RIKEN_NPDepo-CB000303
RECORD_TITLE: taxifolin; LC-ESI-QQQ; MS; [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$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0zfr-0359000000-b7534fdb2beb76cb39a0
PK$NUM_PEAK: 156
PK$PEAK: m/z int. rel.int.
  100.2000 75255.3906 104
  110.4000 38794.4414 53
  110.7000 16917.8770 22
  123.1000 27418.6230 37
  123.4000 24210.0625 32
  127.2000 16917.8770 22
  127.3000 23626.6895 32
  127.4000 23043.3145 31
  129.0000 37336.0000 51
  134.4000 29460.4414 40
  142.8000 15751.1260 21
  143.6000 18668.0000 25
  148.6000 155761.0938 216
  149.4000 21876.5625 29
  152.4000 51045.3164 70
  152.5000 119008.5000 165
  152.6000 184054.7813 256
  152.7000 715217.8125 999
  152.8000 44919.8789 61
  152.9000 35002.5039 47
  153.1000 70296.7031 97
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  153.3000 100923.8828 140
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  153.8000 25960.1875 35
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  166.5000 20709.8125 27
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  185.1000 18959.6895 25
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  194.5000 32669.0000 44
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  195.0000 24501.7520 33
  195.1000 17209.5625 23
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  195.3000 39086.1289 53
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  311.0000 44628.1797 61
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  319.7000 19834.7520 26
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  346.0000 20126.4375 27
  346.9000 33835.7461 46
  432.5000 21584.8770 29
  432.7000 22168.2500 29
  496.8000 35002.5000 47
  532.7000 20126.4375 27
  965.2000 21001.5020 28
//