MassBank Record: MSBNK-IPB_Halle-PN000006
ACCESSION: MSBNK-IPB_Halle-PN000006
RECORD_TITLE: 2'-Hydroxygenistein; ESI-TOF; MS2; CE:15 eV; [M+H]+
DATE: 2011.03.19
AUTHORS: Institute of Bioorganic Chemistry, Polish Academy of Sciences,Poland/Anna Staszków
LICENSE: CC BY-SA
COPYRIGHT: Copyright(C) 2011
COMMENT: lupinus_mexico
CH$NAME: 2'-Hydroxygenistein
CH$NAME: 2'-Hydroxy-genistein
CH$NAME: 5,7,2',4'-Tetrahydroxyisoflavone
CH$COMPOUND_CLASS: Natural Product; isoflavone
CH$FORMULA: C15H10O6
CH$EXACT_MASS: 286.04773804
CH$SMILES: OC1=CC=C(C(O)=C1)C2=COC3=CC(O)=CC(O)=C3(C2(=O))
CH$IUPAC: InChI=1S/C15H10O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-6,16-19H
CH$LINK: PUBCHEM
CID:5282074
CH$LINK: CAS
1156-78-1
CH$LINK: INCHIKEY
GSSOWCUOWLMMRJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80151145
AC$INSTRUMENT: micrOTOF-Q
AC$INSTRUMENT_TYPE: ESI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7
AC$MASS_SPECTROMETRY: COLLISION_GAS argon
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.026
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1000
AC$CHROMATOGRAPHY: RETENTION_TIME 356.6 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 287.051
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: BASE_PEAK 153.017
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2
PK$SPLASH: splash10-0gb9-0920000000-86ef9d569e8b10bc7774
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
89.037 42 42
91.054 108 108
103.052 134 134
107.049 375 375
109.027 94 94
111.005 55 55
115.053 413 413
119.050 69 69
121.062 159 159
123.043 103 103
124.016 108 108
128.061 103 103
131.051 72 72
132.056 46 46
133.063 200 200
137.020 42 42
143.046 68 68
145.063 86 86
147.041 316 316
149.030 41 41
153.017 999 999
154.021 62 62
157.063 133 133
160.051 82 82
161.054 258 258
162.057 44 44
163.037 125 125
171.042 261 261
175.041 66 66
185.059 86 86
189.051 324 324
191.032 49 49
199.035 44 44
200.044 49 49
203.036 94 94
213.051 139 139
216.039 224 224
217.045 880 880
218.051 180 180
269.037 44 44
//
system version 2.2.6-SNAPSHOT