MassBank Record: TY000137



 Genistein; LC-ESI-ITTOF; MS; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TY000137
RECORD_TITLE: Genistein; LC-ESI-ITTOF; MS; [M-H]-
DATE: 2016.01.19 (Created 2010.09.13, modified 2011.05.06)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Genistein CH$NAME: 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CH$NAME: 4',5,7-Trihydroxy-isoflavone CH$NAME: 4',5,7-Trihydroxyisoflavone CH$NAME: 5,7,4'-Trihydroxyisoflavone CH$NAME: Baichanin A CH$NAME: Bonistein CH$NAME: GeniVida CH$NAME: Genisteol CH$NAME: Genisterin CH$NAME: Prunetol CH$NAME: Sophoricol CH$COMPOUND_CLASS: Natural Product; Flavonoid CH$FORMULA: C15H10O5 CH$EXACT_MASS: 270.05282 CH$SMILES: Oc(c3)ccc(c3)C(=C1)C(=O)c(c(O)2)c(cc(O)c2)O1 CH$IUPAC: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H CH$LINK: CAS 446-72-0
AC$INSTRUMENT: LCMS-IT-TOF AC$INSTRUMENT_TYPE: LC-ESI-ITTOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE -3.50 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 16.422450 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 269.040000
PK$SPLASH: splash10-014i-0090030000-a3400b0a77da6983528f PK$NUM_PEAK: 98 PK$PEAK: m/z int. rel.int. 210.549300 67373.000000 4 224.033000 67373.000000 4 226.224600 67373.000000 4 247.032900 67373.000000 4 268.252500 67373.000000 4 269.040000 19061345.000000 999 269.181900 321965.000000 17 269.339600 525359.000000 28 269.544700 302608.000000 16 270.049800 3703339.000000 194 270.349900 67373.000000 4 270.523700 67373.000000 4 270.903200 67373.000000 4 271.045500 455081.000000 24 306.446600 67373.000000 4 311.683700 67373.000000 4 352.971500 67373.000000 4 355.123200 67373.000000 4 356.047400 67373.000000 4 366.568300 67373.000000 4 368.299800 67373.000000 4 383.031900 322564.000000 17 456.251600 67373.000000 4 512.049600 67373.000000 4 537.071700 67373.000000 4 539.100100 5952772.000000 312 539.546500 67373.000000 4 540.104600 1948433.000000 102 540.618400 67373.000000 4 541.110100 523840.000000 27 561.073300 67373.000000 4 562.098100 67373.000000 4 568.861900 67373.000000 4 650.044500 67373.000000 4 666.017900 67373.000000 4 733.307200 67373.000000 4 735.442600 67373.000000 4 739.748900 67373.000000 4 761.681000 67373.000000 4 784.848700 67373.000000 4 788.838100 67373.000000 4 810.523400 67373.000000 4 863.027800 67373.000000 4 917.325100 67373.000000 4 921.521000 67373.000000 4 931.700700 67373.000000 4 953.562300 67373.000000 4 1007.815000 67373.000000 4 1023.310500 163050.000000 9 1075.731600 67373.000000 4 1076.204400 67373.000000 4 1083.372400 229769.000000 12 1091.929200 196409.000000 10 1097.970800 67373.000000 4 1119.826500 163050.000000 9 1124.461900 67373.000000 4 1131.691600 129036.000000 7 1136.869900 229769.000000 12 1139.041800 67373.000000 4 1139.333700 129036.000000 7 1149.345900 67373.000000 4 1150.421300 67373.000000 4 1166.743000 129036.000000 7 1167.859300 129036.000000 7 1176.380200 67373.000000 4 1187.414400 129036.000000 7 1189.998700 67373.000000 4 1203.995500 196409.000000 10 1210.071800 67373.000000 4 1210.907600 129036.000000 7 1212.948300 67373.000000 4 1219.416100 67373.000000 4 1283.146800 190700.000000 10 1289.488300 163050.000000 9 1290.316700 129036.000000 7 1295.811000 129036.000000 7 1309.997700 101386.000000 5 1311.145800 101386.000000 5 1329.512400 67373.000000 4 1370.077100 67373.000000 4 1372.532500 67373.000000 4 1414.899800 196409.000000 10 1436.488900 67373.000000 4 1440.024000 129036.000000 7 1492.086100 67373.000000 4 1495.205700 163050.000000 9 1538.092400 67373.000000 4 1551.992800 67373.000000 4 1559.877100 67373.000000 4 1637.213600 67373.000000 4 1643.869400 67373.000000 4 1658.865000 67373.000000 4 1662.938000 67373.000000 4 1772.976800 67373.000000 4 1797.216000 67373.000000 4 1812.403100 67373.000000 4 1872.958900 67373.000000 4 1882.953600 67373.000000 4 //