MassBank Record: MSBNK-IPB_Halle-PB000744
ACCESSION: MSBNK-IPB_Halle-PB000744
RECORD_TITLE: Luteolin; LC-ESI-QTOF; MS2; CE:55 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 55 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0uy0-2900000000-59881a247e3abd241d7b
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
55.019 167.805 15
63.023 90.146 8
67.018 2025.756 201
68.997 2999.440 298
77.039 390.705 38
79.055 426.764 41
81.035 280.683 27
83.014 151.904 14
87.022 99.104 8
89.039 3101.344 309
91.054 95.633 8
97.030 372.788 36
103.054 93.673 8
105.035 199.720 18
107.049 353.471 34
109.027 258.679 24
111.008 357.055 34
115.053 1143.897 113
117.033 2449.608 243
121.029 106.215 9
125.024 362.094 35
127.049 466.573 45
128.060 1261.478 125
129.066 510.470 50
131.048 161.926 15
133.027 196.361 18
135.043 2515.677 250
137.025 1780.515 177
139.054 1973.124 196
143.045 266.349 25
145.062 261.646 25
147.042 257.559 24
153.018 10000.000 999
154.023 284.826 27
155.056 364.894 35
157.065 595.745 58
161.026 2645.017 263
167.053 284.826 27
168.060 117.973 10
171.047 673.012 66
179.040 136.226 12
184.058 210.358 20
185.064 479.115 46
187.044 114.670 10
195.048 253.919 24
203.038 103.583 9
212.050 342.553 33
213.059 482.643 47
229.052 156.775 14
240.044 164.334 15
241.054 743.561 73
287.055 464.894 45
//