MassBank Record: MSBNK-RIKEN_NPDepo-NGA03058
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
//