MassBank Record: MSBNK-IPB_Halle-PN000113
ACCESSION: MSBNK-IPB_Halle-PN000113
RECORD_TITLE: Luteolin; 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$NAME: Luteolin
CH$NAME: Luteolol
CH$NAME: Flacitran
CH$COMPOUND_CLASS: Natural Product; flavone
CH$FORMULA: C15H10O6
CH$EXACT_MASS: 286.04773804
CH$SMILES: OC1=CC(O)=C2C(=O)C=C(OC2(=C1))C3=CC=C(O)C(O)=C3
CH$IUPAC: InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
CH$LINK: PUBCHEM
CID:5280445
CH$LINK: CAS
491-70-3
CH$LINK: INCHIKEY
IQPNAANSBPBGFQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4074988
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$CHROMATOGRAPHY: RETENTION_TIME 380.397 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 287.053
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: BASE_PEAK 153.018
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2
PK$SPLASH: splash10-0udr-0910000000-3539e18ffd571afc7643
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
89.038 158 158
90.042 16 16
97.027 26 26
107.047 28 28
109.029 22 22
111.011 25 25
115.054 45 45
117.034 126 126
127.047 16 16
128.063 43 43
129.067 18 18
135.044 232 232
136.048 20 20
137.022 117 117
139.053 83 83
145.062 15 15
153.018 999 999
154.022 62 62
157.063 47 47
161.023 146 146
162.024 18 18
167.048 21 21
171.041 32 32
179.036 16 16
185.057 56 56
195.042 17 17
212.042 12 12
213.054 42 42
241.047 64 64
242.052 16 16
269.048 17 17
287.053 135 135
288.056 31 31
//
system version 2.2.6-SNAPSHOT