MassBank Record: MSBNK-IPB_Halle-PB005705
ACCESSION: MSBNK-IPB_Halle-PB005705
RECORD_TITLE: Kaempferol; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.02.18, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2141
COMMENT: CONFIDENCE confident structure
CH$NAME: Kaempferol
CH$NAME: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C15H10O6
CH$EXACT_MASS: 286.04774
CH$SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)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: INCHIKEY
IYRMWMYZSQPJKC-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:5280863
CH$LINK: COMPTOX
DTXSID7020768
AC$INSTRUMENT: micrOTOF-Q
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0290000000-9d940e3fc827408f9272
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
121.026 210.210 20
129.071 20.020 1
133.026 60.060 5
135.041 50.050 4
137.021 200.200 19
138.025 10.010 0
139.051 20.020 1
141.066 10.010 0
145.062 90.090 8
147.042 210.210 20
148.049 10.010 0
149.023 10.010 0
153.016 1421.421 141
154.023 70.070 6
157.062 220.220 21
158.068 10.010 0
161.058 60.060 5
165.017 510.510 50
166.021 60.060 5
167.047 10.010 0
168.053 10.010 0
169.067 10.010 0
171.042 70.070 6
175.040 10.010 0
175.074 10.010 0
183.026 210.210 20
184.037 10.010 0
185.056 250.250 24
186.062 10.010 0
188.045 10.010 0
189.050 40.040 3
191.029 10.010 0
194.015 20.020 1
195.039 10.010 0
197.055 50.050 4
199.036 20.020 1
201.053 20.020 1
203.038 10.010 0
203.070 70.070 6
212.045 40.040 3
213.051 1101.101 109
213.127 10.010 0
214.055 90.090 8
215.063 10.010 0
216.039 70.070 6
217.047 50.050 4
218.056 10.010 0
219.063 20.020 1
223.038 30.030 2
224.043 10.010 0
229.044 210.210 20
230.052 50.050 4
231.061 570.571 56
232.061 30.030 2
234.947 20.020 1
240.036 20.020 1
241.045 660.661 65
242.050 110.110 10
243.062 90.090 8
244.069 10.010 0
245.040 30.030 2
246.046 10.010 0
257.040 40.040 3
258.048 1121.121 111
258.154 10.010 0
259.055 530.530 52
260.057 50.050 4
263.051 20.020 1
269.039 220.220 21
270.043 20.020 1
285.032 20.020 1
286.039 20.020 1
287.050 10000.000 999
287.214 10.010 0
287.590 10.010 0
288.053 1231.231 122
289.057 40.040 3
//