ACCESSION: MSBNK-Univ_Toyama-TY000141
RECORD_TITLE: Sakuranetin; LC-ESI-ITTOF; MS; [M+H]+
DATE: 2016.01.19 (Created 2010.10.14, modified 2011.05.06)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA
CH$NAME: Sakuranetin
CH$NAME: (2S)-2,3-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
CH$NAME: (S)-2,3-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
CH$NAME: (S)-(-)-4',5-Dihydroxy-7-methoxy-flavanone
CH$NAME: (-)-(S)-Sakuranetin
CH$NAME: (S)-4',5-Dihydroxy-7-methoxyflavanone
CH$NAME: 5,4'-Dihydroxy-7-methoxyflavanone
CH$NAME: 7-O-Methylnaringenin
CH$NAME: Naringenin 7-O-methyl ether
CH$NAME: Naringenin 7-methyl ether
CH$COMPOUND_CLASS: Natural Product; Flavonoid
CH$FORMULA: C16H14O5
CH$EXACT_MASS: 286.08412
CH$SMILES: COc(c3)cc(O1)c(c(O)3)C(=O)CC1c(c2)ccc(O)c2
CH$IUPAC: InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
CH$LINK: CAS
2957-21-3
CH$LINK: INCHIKEY
DJOJDHGQRNZXQQ-AWEZNQCLSA-N
AC$INSTRUMENT: LCMS-IT-TOF
AC$INSTRUMENT_TYPE: LC-ESI-ITTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE +4.50 kV
AC$MASS_SPECTROMETRY: SCANNING 0.1 sec/scan (m/z = 200-2000)
AC$CHROMATOGRAPHY: COLUMN_NAME Waters Atlantis T3 (2.1 x 150 mm, 5 um)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 10 % B to 100 % B/40 min
AC$CHROMATOGRAPHY: FLOW_RATE 0.2 ml/min
AC$CHROMATOGRAPHY: RETENTION_TIME 20.526667 min
AC$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT B CH3CN
MS$FOCUSED_ION: BASE_PEAK 287.086400
PK$SPLASH: splash10-000i-0090000000-e9f27af35dfe96f8bcd7
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
200.144600 791733.000000 7
211.056500 791733.000000 7
285.087200 2049436.000000 18
286.939900 782601.000000 7
287.086400 115254170.000000 999
287.249300 1553713.000000 13
287.379600 2707899.000000 23
287.607700 1415105.000000 12
287.819600 960662.000000 8
288.096800 14273815.000000 124
289.092600 1159824.000000 10
290.237500 425895.000000 4
304.051700 425895.000000 4
316.065000 368746.000000 3
333.116900 367930.000000 3
339.018400 372540.000000 3
344.151100 579787.000000 5
346.597800 623141.000000 5
353.104300 779729.000000 7
359.015600 425895.000000 4
362.026200 526433.000000 5
370.097500 683978.000000 6
392.024300 627663.000000 5
401.268000 425895.000000 4
423.097600 1418953.000000 12
436.063400 372540.000000 3
449.102800 934579.000000 8
450.121700 634188.000000 5
450.611100 676496.000000 6
462.954400 372540.000000 3
476.240100 367930.000000 3
497.077900 577872.000000 5
531.638700 641405.000000 6
571.167000 2680911.000000 23
591.135400 615924.000000 5
593.146400 676496.000000 6
594.129800 1109430.000000 10
598.165400 710930.000000 6
604.150000 583440.000000 5
610.116900 2026952.000000 18
626.099900 1221742.000000 11
680.593100 425895.000000 4
735.169600 988980.000000 9
735.690800 577872.000000 5
935.827200 422331.000000 4
943.692800 732811.000000 6
1014.862000 416763.000000 4
1165.256300 520954.000000 5
1852.792200 867571.000000 8
//
