MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000692
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000692
RECORD_TITLE: 6-IODOFLAVONOL; 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$NAME: 6-IODOFLAVONOL
CH$NAME: 3-HYDROXY-6-IODO-2-PHENYL-4H-CHROMEN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H9IO3
CH$EXACT_MASS: 363.95964
CH$SMILES: c(c3)ccc(c3)C(O1)=C(O)C(=O)c(c2)c(ccc(I)2)1
CH$IUPAC: InChI=1S/C15H9IO3/c16-10-6-7-12-11(8-10)13(17)14(18)15(19-12)9-4-2-1-3-5-9/h1-8,18H
CH$LINK: INCHIKEY
TZKBZRSSMGARTJ-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$SPLASH: splash10-03di-8309000000-128afa14a6c48f07486c
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
39 4.3 43
50 7 70
51 10.9 109
62 0.59 6
63 19.3 193
73 4.5 45
74 30 300
75 3.48 35
76 20.7 207
77 48.4 484
78 4.5 45
89 1.09 11
104 5.7 57
105 17 170
118 9.5 95
127 0.59 6
128 5.5 55
149 5.9 59
151 3.6 36
152 1.82 18
153 6.8 68
181 5.2 52
182 4.1 41
209 0.75 8
236 5.9 59
237 3.6 36
363 52 520
364 99.99 999
365 15.9 159
//