MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000718
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000718
RECORD_TITLE: 5,7-DIHYDROXYFLAVANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKATORI M, DEPT. OF CHEMISTRY, FAC. OF EDUC., FUKUSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 5,7-DIHYDROXYFLAVANONE
CH$NAME: 5,7-DIHYDROXY-2-PHENYLCHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H12O4
CH$EXACT_MASS: 256.07356
CH$SMILES: Oc(c3)cc(O1)c(c(O)3)C(=O)CC(c(c2)cccc2)1
CH$IUPAC: InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2
CH$LINK: INCHIKEY
URFCJEUYXNAHFI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80285959
AC$INSTRUMENT: JEOL JMS-06-H
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0zi0-4940000000-e82938be666b8efbd57d
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
32 3.5 35
38 2.7 27
39 17.5 175
41 0.65 7
42 6.5 65
43 8.3 83
50 11.3 113
51 2.29 23
52 5.9 59
53 7.1 71
55 10.4 104
63 0.59 6
65 3.7 37
66 2.3 23
67 3.5 35
68 0.35 4
69 38.7 387
76 3.7 37
77 26.4 264
78 2.59 26
79 3.2 32
91 11.2 112
95 3.2 32
96 2.21 22
102 5.5 55
103 26.7 267
104 32.4 324
105 0.81 8
107 4 40
111 11.2 112
115 2.3 23
123 0.92 9
124 60 600
125 3.5 35
131 3.3 33
149 0.87 9
150 2.3 23
152 99.99 999
153 25.9 259
154 0.25 3
178 4.3 43
179 86.7 867
180 7.5 75
213 0.27 3
227 2.1 21
228 2.8 28
238 6.5 65
239 0.36 4
255 50.7 507
256 92 920
257 14 140
//