MassBank Record: MSBNK-IPB_Halle-PN000005
ACCESSION: MSBNK-IPB_Halle-PN000005
RECORD_TITLE: 2'-Hydroxygenistein; ESI-TOF; MS2; CE:25 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: 286.04773803999996
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV
AC$MASS_SPECTROMETRY: COLLISION_GAS argon
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.031
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 44.7387-1204.74
AC$CHROMATOGRAPHY: RETENTION_TIME 361.026 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 285.04
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: BASE_PEAK 133.024
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2
PK$SPLASH: splash10-001i-0900000000-eb1c908e2b7ab5532501
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
89.035 50 50
107.016 52 52
109.023 39 39
121.033 50 50
123.039 84 84
131.047 51 51
132.019 77 77
133.028 999 999
134.030 81 81
143.048 44 44
145.036 62 62
146.039 27 27
147.032 74 74
148.019 106 106
149.024 253 253
151.020 60 60
157.034 66 66
171.047 90 90
172.047 32 32
173.038 67 67
174.036 34 34
175.039 258 258
176.037 34 34
185.051 45 45
187.038 53 53
189.053 29 29
195.045 43 43
198.031 64 64
199.038 108 108
201.017 62 62
211.040 35 35
215.031 43 43
217.053 45 45
229.048 36 36
240.045 39 39
//
system version 2.2.6-SNAPSHOT