MassBank Record: NGA02923



 osajin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA02923
RECORD_TITLE: osajin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant, Pyrans

CH$NAME: osajin CH$COMPOUND_CLASS: Flavonoids CH$FORMULA: C25H24O5 CH$EXACT_MASS: 404.46703 CH$SMILES: CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C=CC(C)(C)O2 CH$IUPAC: InChI=1S/C25H24O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26-27H,10H2,1-4H3 CH$LINK: CAS 482-53-1 CH$LINK: PUBCHEM CID:85874 CH$LINK: INCHIKEY DCTLJGWMHPGCOS-UHFFFAOYSA-N
AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-0009200000-3f53b467b9c48d407d13 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 348.2 0.73 0 348.3 2.34 2 348.4 5.36 5 348.5 10.39 10 348.6 19.02 19 348.7 33.15 33 348.8 52.64 52 348.9 73.76 73 349.0 90.94 90 349.1 100.0 99 349.2 98.86 98 349.3 86.11 86 349.4 62.23 62 349.5 33.26 33 349.6 9.49 9 349.7 0.0 0 404.4 1.31 1 404.5 2.38 2 404.6 4.14 4 404.7 7.31 7 404.8 12.52 12 404.9 19.26 19 405.0 25.7 25 405.1 30.01 29 405.2 31.21 31 405.3 28.7 28 405.4 22.18 22 405.5 12.96 12 405.6 4.42 4 //