MassBank Record: MSBNK-IPB_Halle-PB004123
ACCESSION: MSBNK-IPB_Halle-PB004123
RECORD_TITLE: Kaempferol; LC-ESI-QQ; MS2; CE:35 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.04.29, modified 2013.06.04)
AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 3321
COMMENT: CONFIDENCE confident structure
CH$NAME: Kaempferol
CH$NAME: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CH$COMPOUND_CLASS: Natural Product; Flavonoids
CH$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$INSTRUMENT: TSQ QUANTUM AM
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-1920000000-12a295288f1d670f87fc
PK$NUM_PEAK: 135
PK$PEAK: m/z int. rel.int.
43.000 30.563 2
53.000 23.828 1
55.000 16.168 0
57.000 13.569 0
65.000 271.853 26
66.000 35.261 2
67.000 196.643 18
69.000 1358.143 134
71.000 26.234 1
77.000 583.293 57
79.000 372.225 36
81.000 242.671 23
83.000 36.713 2
85.000 40.542 3
89.000 30.012 2
91.000 162.023 15
93.000 1056.955 104
94.000 41.595 3
95.000 91.794 8
97.000 163.921 15
99.000 25.666 1
101.000 22.758 1
102.000 12.122 0
103.000 223.762 21
105.000 650.554 64
106.000 20.541 1
107.000 1001.612 99
108.000 92.705 8
109.000 723.345 71
110.000 22.635 1
111.000 631.565 62
113.000 11.056 0
115.000 440.587 43
117.000 157.928 14
119.000 285.662 27
120.000 10.763 0
121.000 4194.151 418
122.000 10.613 0
123.000 81.064 7
124.000 16.083 0
125.000 85.034 7
126.000 14.457 0
127.000 466.131 45
128.000 623.670 61
129.000 516.506 50
131.000 125.502 11
133.000 436.246 42
134.000 31.986 2
135.000 252.279 24
136.000 227.532 21
137.000 1691.458 168
138.000 15.831 0
139.000 333.878 32
140.000 22.414 1
141.000 342.594 33
143.000 252.435 24
144.000 23.399 1
145.000 765.497 75
146.000 29.305 1
147.000 1278.497 126
148.000 22.788 1
149.000 48.599 3
150.000 46.708 3
151.000 91.112 8
153.000 10000.000 999
155.000 115.067 10
157.000 1923.269 191
158.000 19.289 0
159.000 32.938 2
160.000 184.721 17
161.000 490.285 48
163.000 195.353 18
165.000 2474.352 246
166.000 60.554 5
167.000 186.329 17
168.000 116.624 10
169.000 86.858 7
171.000 1090.945 108
172.000 21.788 1
173.000 97.555 8
174.000 30.578 2
175.000 237.887 22
179.000 71.213 6
180.000 23.610 1
181.000 44.528 3
182.000 16.833 0
183.000 190.689 18
184.000 246.251 23
185.000 1207.075 119
187.000 45.576 3
188.000 48.932 3
189.000 98.420 8
190.000 14.611 0
191.000 40.195 3
193.000 25.075 1
194.000 43.408 3
195.000 142.305 13
196.000 28.243 1
197.000 141.662 13
199.000 67.738 5
200.000 16.949 0
201.000 215.264 20
202.000 90.398 8
203.000 277.288 26
211.000 22.977 1
212.000 88.412 7
213.000 3149.461 313
214.000 18.706 0
215.000 62.650 5
216.000 295.288 28
217.000 44.945 3
218.000 68.755 5
219.000 42.264 3
223.000 31.634 2
225.000 30.257 2
227.000 12.462 0
229.000 1071.860 106
230.000 120.850 11
231.000 397.745 38
232.000 19.387 0
235.000 29.696 1
240.000 39.927 2
241.000 793.901 78
242.000 90.943 8
243.000 105.202 9
244.000 29.101 1
245.000 99.102 8
257.000 28.783 1
258.000 1488.863 147
259.000 371.486 36
263.000 13.906 0
269.000 177.503 16
285.000 70.021 6
286.000 11.916 0
287.000 2417.231 240
//