MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000682
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000682
RECORD_TITLE: 6-HYDROXY-2'-METHOXYFLAVANONE ACETATE; 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$NAME: 6-HYDROXY-2'-METHOXYFLAVANONE ACETATE
CH$NAME: 6-ACETHOXY-2'-METHOXYFLAVANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H16O5
CH$EXACT_MASS: 312.09977
CH$SMILES: CC(=O)Oc(c3)cc(C(=O)2)c(c3)OC(C2)c(c1)c(OC)ccc1
CH$IUPAC: InChI=1S/C18H16O5/c1-11(19)22-12-7-8-17-14(9-12)15(20)10-18(23-17)13-5-3-4-6-16(13)21-2/h3-9,18H,10H2,1-2H3
CH$LINK: INCHIKEY
GTJHJYSMVKNZOP-UHFFFAOYSA-N
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$SPLASH: splash10-000i-7922000000-1c8a6f84334f58e07e39
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
32 3.4 34
39 6 60
41 4 40
42 0.26 3
43 70 700
44 3.5 35
45 2.3 23
50 0.25 3
51 11.1 111
52 7 70
53 12 120
55 0.33 3
57 2.6 26
63 6 60
65 11.8 118
69 0.23 2
77 10.3 103
78 5.9 59
79 14.1 141
80 0.73 7
82 2.1 21
89 3.9 39
90 2.8 28
91 5.13 51
92 4.1 41
103 5.1 51
104 2 20
105 0.64 6
107 14 140
108 22.5 225
118 3.8 38
119 5.13 51
120 4.4 44
121 7.4 74
133 3 30
134 7.88 79
135 21 210
136 99.99 999
137 12.9 129
149 1.04 10
162 3.9 39
163 11 110
238 16.8 168
239 3.5 35
240 4.5 45
255 3.5 35
269 13.3 133
270 7.13 71
271 12 120
312 52.5 525
313 9.3 93
//
system version 2.2.6-SNAPSHOT