MassBank Record: MSBNK-Osaka_Univ-OUF00228
ACCESSION: MSBNK-Osaka_Univ-OUF00228
RECORD_TITLE: Flavanone; GC-EI-TOF; MS; n TMS; RT:822.373 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.
CH$NAME: Flavanone
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C15H12O2
CH$EXACT_MASS: 224.08373
CH$SMILES: c(c3)ccc(c3)C(C1)Oc(c2)c(ccc2)C(=O)1
CH$IUPAC: InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2
CH$LINK: CAS
487-26-3
CH$LINK: CHEBI
5070
CH$LINK: CHEMSPIDER
9833
CH$LINK: KEGG
C00766
CH$LINK: PUBCHEM
CID:10251
CH$LINK: INCHIKEY
ZONYXWQDUYMKFB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9022318
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 2135.173
AC$CHROMATOGRAPHY: RETENTION_TIME 822.373 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0uk9-2940000000-7fc70fd438ca4a1d4bad
PK$NUM_PEAK: 125
PK$PEAK: m/z int. rel.int.
85 5 5
86 19 19
87 33 33
88 59 59
89 222 222
90 246 246
91 446 446
92 74 74
93 38 38
94 15 15
95 22 22
96 33 33
97 64 64
98 19 19
99 8 8
100 9 9
101 52 52
102 372 372
103 986 986
104 389 389
105 110 110
106 42 42
107 4 4
108 1 1
109 1 1
110 37 37
111 67 67
112 3 3
113 12 12
114 13 13
115 80 80
116 47 47
117 30 30
118 55 55
119 83 83
120 65 65
121 999 999
122 89 89
123 6 6
126 15 15
127 20 20
128 96 96
129 24 24
130 32 32
131 23 23
132 20 20
133 6 6
134 28 28
135 2 2
137 3 3
138 1 1
139 26 26
140 19 19
141 5 5
142 2 2
144 32 32
145 55 55
146 39 39
147 23 23
148 3 3
149 4 4
150 12 12
151 30 30
152 70 70
153 21 21
154 14 14
155 4 4
160 5 5
161 6 6
162 49 49
163 22 22
164 21 21
165 103 103
166 43 43
167 86 86
168 20 20
174 2 2
175 10 10
176 188 188
177 56 56
178 82 82
179 34 34
180 18 18
181 19 19
182 2 2
187 1 1
188 3 3
189 15 15
190 25 25
191 70 70
192 95 95
193 72 72
194 94 94
195 39 39
196 8 8
200 1 1
201 2 2
202 16 16
203 23 23
204 44 44
205 31 31
206 19 19
207 48 48
208 9 9
209 3 3
210 2 2
218 4 4
219 30 30
220 637 637
221 260 260
222 545 545
223 120 120
224 17 17
225 1 1
236 2 2
237 3 3
251 5 5
252 362 362
253 466 466
254 87 87
255 11 11
315 1 1
390 3 3
443 1 1
444 1 1
//