MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001259
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001259
RECORD_TITLE: ISOFLAVANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: ISOFLAVANONE
CH$NAME: 3-PHENYLCHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H12O2
CH$EXACT_MASS: 224.08373
CH$SMILES: c(c3)ccc(c3)C(C1)C(=O)c(c2)c(ccc2)O1
CH$IUPAC: InChI=1S/C15H12O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-9,13H,10H2
CH$LINK: INCHIKEY
RTRZOHKLISMNRD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90963817
AC$INSTRUMENT: HITACHI RMU-6D
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: splash10-00di-0910000000-efdd68e8dafbf84c1681
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
89 2.3 23
90 1 10
91 3 30
92 4.8 48
93 4 40
94 0.7 7
101 0.3 3
102 0.3 3
103 14.3 143
104 39 390
105 3.7 37
112 0.03 0
113 0.3 3
115 1 10
118 0.3 3
119 0.03 0
120 99.99 999
121 10 100
122 0.7 7
139 0.08 1
146 0.7 7
147 2.3 23
151 0.8 8
163 0.03 0
164 0.3 3
165 2 20
166 0.3 3
167 0.03 0
207 0.7 7
208 0.3 3
222 0.3 3
223 0.27 3
224 31 310
225 5 50
226 0.7 7
//