MassBank Record: MSBNK-IPB_Halle-PB005714
ACCESSION: MSBNK-IPB_Halle-PB005714
RECORD_TITLE: Genistein; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.02.18, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2181
COMMENT: CONFIDENCE confident structure
CH$NAME: Genistein
CH$NAME: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C15H10O5
CH$EXACT_MASS: 270.05282
CH$SMILES: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
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: INCHIKEY
TZBJGXHYKVUXJN-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:5280961
CH$LINK: COMPTOX
DTXSID5022308
AC$INSTRUMENT: micrOTOF-Q
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-0090000000-124c837f947147cccd5c
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
119.047 10.010 0
121.028 10.010 0
131.048 10.010 0
141.068 20.020 1
145.027 110.110 10
147.043 10.010 0
147.077 10.010 0
149.021 160.160 15
150.027 20.020 1
153.016 570.571 56
154.019 20.020 1
159.042 70.070 6
165.016 60.060 5
169.063 60.060 5
173.058 20.020 1
175.073 10.010 0
183.032 10.010 0
187.068 50.050 4
197.058 120.120 11
200.045 10.010 0
201.052 20.020 1
211.035 10.010 0
213.052 30.030 2
215.067 1341.341 133
216.070 160.160 15
225.052 130.130 12
226.058 30.030 2
227.065 40.040 3
228.045 20.020 1
229.046 20.020 1
242.051 30.030 2
243.062 1381.381 137
244.066 160.160 15
247.055 10.010 0
253.046 660.661 65
254.049 90.090 8
271.056 10000.000 999
271.352 10.010 0
272.060 1321.321 131
273.062 80.080 7
//