MassBank Record: MSBNK-IPB_Halle-PB000743
ACCESSION: MSBNK-IPB_Halle-PB000743
RECORD_TITLE: Luteolin; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.03.23, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 361
COMMENT: CONFIDENCE confident structure
CH$NAME: Luteolin
CH$NAME: 5,7,3',4'-tetrahydroxy-flavone
CH$COMPOUND_CLASS: Natural Product; Flavone
CH$FORMULA: C15H10O6
CH$EXACT_MASS: 286.04774
CH$SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
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: INCHIKEY
IQPNAANSBPBGFQ-UHFFFAOYSA-N
CH$LINK: KEGG
C01514
CH$LINK: PUBCHEM
CID:5280445
CH$LINK: COMPTOX
DTXSID4074988
AC$INSTRUMENT: API QSTAR Pulsar i
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0f79-0980000000-e245bb6cbc97af71cd5e
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
67.018 257.309 24
68.996 198.486 18
89.038 161.870 15
107.048 123.989 11
111.007 233.672 22
117.032 564.586 55
125.020 104.437 9
135.043 2403.069 239
137.023 737.300 72
139.054 129.173 11
153.018 7735.849 772
154.022 178.457 16
157.065 148.041 13
161.026 904.624 89
171.042 226.415 21
179.039 358.905 34
185.065 216.255 20
203.040 157.412 14
213.059 323.865 31
231.067 118.122 10
241.054 1139.125 112
245.049 162.347 15
269.048 486.212 47
287.055 10000.000 999
288.060 518.764 50
//