MassBank Record: MSBNK-IPB_Halle-PN000001
ACCESSION: MSBNK-IPB_Halle-PN000001
RECORD_TITLE: Keampferol; 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$NAME: Keampferol
CH$NAME: Robigenin
CH$NAME: 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CH$COMPOUND_CLASS: Natural Product; flavonol
CH$FORMULA: C15H10O6
CH$EXACT_MASS: 286.04773804
CH$SMILES: OC=1C=CC(=CC=1)C=2OC3=CC(O)=CC(O)=C3(C(=O)C=2(O))
CH$IUPAC: InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
CH$LINK: PUBCHEM
CID:5280863
CH$LINK: CAS
520-18-3
CH$LINK: INCHIKEY
IYRMWMYZSQPJKC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7020768
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$CHROMATOGRAPHY: RETENTION_TIME 447.179 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 287.052
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: BASE_PEAK 153.017
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2
PK$SPLASH: splash10-0udi-0910000000-63aed82d6564c67bfad9
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
91.053 29 29
93.033 46 46
97.028 19 19
103.052 26 26
105.034 70 70
107.049 89 89
109.027 47 47
111.011 36 36
115.055 72 72
119.046 41 41
121.028 377 377
122.029 29 29
127.050 26 26
128.060 84 84
129.070 50 50
131.048 39 39
133.030 29 29
135.048 25 25
136.016 19 19
137.022 112 112
139.051 41 41
145.062 69 69
147.042 98 98
153.017 999 999
154.021 74 74
157.063 167 167
161.055 33 33
165.018 85 85
171.042 50 50
185.060 51 51
213.054 129 129
214.057 25 25
217.051 19 19
229.047 61 61
241.046 19 19
258.048 37 37
287.049 48 48
//