MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001121
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001121
RECORD_TITLE: ISONEOBAVAISOFLAVONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: ISONEOBAVAISOFLAVONE
CH$NAME: 2',3'-DIHYDRO-7-HYDROXY-2',2'-DIMETHYL-3,6'-BI(4H-1-BENZOPYRAN)-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H18O4
CH$EXACT_MASS: 322.12051
CH$SMILES: Oc(c4)cc(O3)c(c4)C(=O)C(=C([H])3)c(c2)cc(C1)c(c2)OC(C)(C)C1
CH$IUPAC: InChI=1S/C20H18O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)16-11-23-18-10-14(21)4-5-15(18)19(16)22/h3-6,9-11,21H,7-8H2,1-2H3
CH$LINK: INCHIKEY
XYQGRDVFZGPOQG-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-7L
AC$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$SPLASH: splash10-00xr-0279000000-71d6025bffb3860e644e
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
63 1.1 11
77 1.7 17
95 0.8 8
131 6.7 67
137 31.7 317
146 1.1 11
237 18.3 183
238 3.3 33
239 1.7 17
266 6.7 67
267 56.7 567
268 11.1 111
279 7.2 72
293 10.1 101
305 2.8 28
307 11.1 111
321 2.8 28
322 99.99 999
323 15 150
//
system version 2.2.6-SNAPSHOT