MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005746
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005746
RECORD_TITLE: 7,8-DIHYDROXYFLAVANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 7,8-DIHYDROXYFLAVANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H12O4
CH$EXACT_MASS: 256.07356
CH$SMILES: Oc(c3)c(O)c(O1)c(c3)C(=O)CC(c(c2)cccc2)1
CH$IUPAC: InChI=1S/C15H12O4/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)9-4-2-1-3-5-9/h1-7,13,16,18H,8H2
CH$LINK: INCHIKEY
OXEDXEXEXGPMOG-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03di-2490000000-a633e63160c826f99254
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
39 4.4 44
50 2.4 24
51 6.8 68
52 2.8 28
53 1.8 18
55 2 20
63 3.4 34
64 2.2 22
65 3.1 31
66 1.5 15
68 1.6 16
70 1.5 15
75 1.5 15
76 4.5 45
77 9.1 91
78 6 60
79 2.5 25
84 3.2 32
89 2.1 21
91 3.2 32
102 2.8 28
103 4.4 44
104 2.4 24
105 2.3 23
106 1.8 18
106.5 1.3 13
107 1.3 13
114 1.1 11
115 5.3 53
123 1.4 14
124 2.6 26
126 2.5 25
127 3.5 35
128 7 70
129 3.91 39
131 1.4 14
139 6.1 61
140 1.6 16
141 2.1 21
150 1.7 17
151 1.9 19
152 30.8 308
153 4.5 45
157 1.4 14
165 1.5 15
167 1.3 13
168 1.6 16
179 1.5 15
181 2.2 22
185 1.8 18
196 2.5 25
197 5.6 56
198 1 10
209 1.2 12
212 1 10
213 99.99 999
214 53.1 531
215 7.4 74
227 2.5 25
228 1.9 19
238 4 40
239 1 10
255 1.3 13
256 55 550
257 9.1 91
258 1.2 12
//
system version 2.2.8-SNAPSHOT