MassBank Record: MSBNK-IPB_Halle-PB004141
ACCESSION: MSBNK-IPB_Halle-PB004141
RECORD_TITLE: Kaempferol; LC-ESI-QQ; MS2; CE:30 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: 3341
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-0890000000-52e326989e3c5afe200b
PK$NUM_PEAK: 116
PK$PEAK: m/z int. rel.int.
65.000 51.403 4
67.000 22.449 1
79.000 19.451 0
83.000 114.053 10
91.000 22.328 1
92.000 56.258 4
93.000 698.028 68
95.000 55.651 4
105.000 104.616 9
107.000 312.199 30
108.000 180.852 17
109.000 367.003 35
115.000 55.793 4
116.000 21.731 1
117.000 365.105 35
119.000 182.640 17
120.000 128.629 11
121.000 72.780 6
123.000 114.812 10
124.000 15.482 0
127.000 10.539 0
129.000 57.497 4
130.000 162.389 15
131.000 257.538 24
132.000 37.503 2
133.000 246.625 23
134.000 18.478 0
135.000 303.214 29
136.000 142.602 13
137.000 356.142 34
139.000 22.452 1
141.000 127.888 11
142.000 17.827 0
143.000 688.723 67
145.000 734.793 72
146.000 51.392 4
147.000 96.200 8
148.000 34.087 2
149.000 30.507 2
151.000 277.796 26
152.000 37.211 2
153.000 52.529 4
154.000 734.080 72
155.000 490.786 48
156.000 194.570 18
157.000 788.436 77
158.000 190.403 18
159.000 1183.809 117
160.000 11.308 0
161.000 627.715 61
162.000 21.269 1
163.000 449.018 43
164.000 318.847 30
165.000 104.380 9
167.000 613.558 60
168.000 269.175 25
169.000 744.656 73
170.000 67.814 5
171.000 1131.871 112
172.000 40.739 3
173.000 615.223 60
174.000 100.014 9
175.000 65.919 5
179.000 51.369 4
181.000 22.255 1
182.000 129.720 11
183.000 525.185 51
184.000 364.783 35
185.000 1645.960 163
186.000 70.213 6
187.000 1386.389 137
189.000 192.038 18
190.000 18.796 0
191.000 88.294 7
192.000 72.638 6
193.000 10.167 0
194.000 15.945 0
195.000 373.296 36
196.000 125.964 11
197.000 101.318 9
198.000 224.081 21
199.000 128.597 11
200.000 59.966 4
201.000 511.455 50
202.000 21.840 1
210.000 168.930 15
211.000 1253.933 124
212.000 150.639 14
213.000 638.903 62
214.000 850.671 84
215.000 386.331 37
217.000 45.720 3
219.000 207.516 19
222.000 13.182 0
223.000 52.088 4
224.000 13.680 0
226.000 25.986 1
227.000 947.705 93
228.000 37.685 2
229.000 1141.654 113
238.000 23.746 1
239.000 1883.946 187
240.000 298.397 28
241.000 164.996 15
242.000 34.070 2
243.000 563.226 55
255.000 957.244 94
256.000 132.371 12
257.000 226.499 21
266.000 47.040 3
267.000 268.175 25
268.000 223.930 21
270.000 13.500 0
283.000 21.133 1
284.000 153.199 14
285.000 10000.000 999
//