MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000711
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000711
RECORD_TITLE: 6-IODOFLAVANONE; 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$NAME: 6-IODOFLAVANONE
CH$NAME: 6-IODO-2-PHENYLCHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H11IO2
CH$EXACT_MASS: 349.98037
CH$SMILES: c(c3)ccc(c3)C(C1)Oc(c2)c(cc(I)c2)C(=O)1
CH$IUPAC: InChI=1S/C15H11IO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15H,9H2
CH$LINK: INCHIKEY
QRHHQHRVDBZHGP-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$SPLASH: splash10-0udj-4498000000-4bbf1530b478a10ee17a
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
32 1.2 12
38 1 10
39 3.7 37
45 0.1 1
50 2.8 28
51 6.4 64
52 1.7 17
53 0.19 2
62 4.8 48
63 26 260
64 2.8 28
65 0.15 2
74 2.1 21
75 2.8 28
76 2.4 24
77 1.18 12
78 10.5 105
89 2.1 21
91 8 80
92 0.26 3
102 3 30
103 16.7 167
104 29.7 297
105 0.31 3
119 2.2 22
120 1.8 18
127 2.6 26
128 0.32 3
131 4.7 47
146 1.1 11
149 4 40
152 0.17 2
165 2.8 28
166 1 10
167 1.3 13
175 0.17 2
177 1.1 11
190 3.2 32
218 22.4 224
219 0.24 2
223 4 40
246 97.4 974
247 11.7 117
248 0.1 1
272 2.8 28
273 21.4 214
274 2.2 22
333 0.3 3
349 26.6 266
350 99.99 999
351 16.1 161
352 1.6 16
//