MassBank Record: MSBNK-IPB_Halle-PN000119
ACCESSION: MSBNK-IPB_Halle-PN000119
RECORD_TITLE: 7,4'-Dihydroxyflavone; 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: standard
CH$NAME: 7,4'-Dihydroxyflavone
CH$NAME: 4H-1-Benzopyran-4-one, 7-hydroxy-2-(4-hydroxyphenyl)
CH$NAME: 7-Hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
CH$COMPOUND_CLASS: Natural Product; flavone
CH$FORMULA: C15H10O4
CH$EXACT_MASS: 254.0579088
CH$SMILES: OC=1C=CC(=CC=1)C2=CC(=O)C3=CC=C(O)C=C3(O2)
CH$IUPAC: InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H
CH$LINK: PUBCHEM
CID:5282073
CH$LINK: CAS
2196-14-7
CH$LINK: INCHIKEY
LCAWNFIFMLXZPQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID50176365
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$MASS_SPECTROMETRY: PEAK_WIDTH 0.028
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 44.9269-1004.95
AC$CHROMATOGRAPHY: RETENTION_TIME 342.991 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 255.064
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: BASE_PEAK 137.023
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2
PK$SPLASH: splash10-000j-1900000000-993d80b7631f736596b9
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
81.033 92 92
89.037 74 74
91.054 323 323
92.057 17 17
93.033 33 33
95.012 48 48
107.050 36 36
109.029 108 108
115.054 49 49
117.034 56 56
119.048 246 246
120.050 26 26
121.028 96 96
128.061 83 83
129.066 26 26
131.047 40 40
137.023 999 999
138.027 75 75
139.050 39 39
141.072 24 24
145.029 788 788
146.031 71 71
152.060 135 135
153.067 66 66
155.035 18 18
157.061 57 57
167.053 20 20
169.064 23 23
181.062 74 74
227.072 34 34
234.935 25 25
252.950 23 23
255.063 57 57
//
system version 2.2.6-SNAPSHOT